# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-25T16:06:38+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 24 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
"1000077","7.276","0.002","12.48","0.003","7.364","0.002","90","","90","","90","","668.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Chromium fluoride ammonia *","","- Cr F3 H0.0999 N0.0333 -","- Cr F3 H0.1 N0.0333333 -","- Cr12 F36 H1.2 N0.4 -","12","0.75","","de Pape, R; Le Bail, A; Lubin, F; Ferey, G","Les varietes ""bronze de tungstene hexagonal"" des trifluorures CrF~3~ et VF~3~","Revue de Chimie Minerale","1987","24","","545","551","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:06",""
"1000078","7.425","0.009","12.835","0.017","7.563","0.002","90","","90","","90","","720.8","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Vanadium(III) fluoride (0.03/1/3)","","- F3 H0.0801 N0.0267 V -","- F3 H0.08 N0.0266667 V -","- F36 H0.96 N0.32 V12 -","12","0.75","","de Pape, R; Le Bail, A; Lubin, F; Ferey, G","Les varietes ""bronze de tungstene hexagonal"" des trifluorures CrF~3~ et VF~3~","Revue de Chimie Minerale","1987","24","","545","551","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:09",""
"1000141","4.9005","0.0002","8.4892","0.0003","5.1816","0.0002","90","","90","","90","","215.6","","","","","","","","","","","","","3","P n c n","-P 2ab 2n","52","","Lithium antimony(V) oxide","","- Li O3 Sb -","- Li O3 Sb -","- Li4 O12 Sb4 -","4","0.5","","Fourquet, J L; Gillet, P A; Le Bail, A","Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1).","Materials Research Bulletin","1989","24","","1207","1214","10.1016/0025-5408(89)90195-5","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000142","4.726","0.0005","8.659","0.001","5.2306","0.0006","90","","90","","90","","214","","","","","","","","","","","","","4","P n c n","-P 2ab 2n","52","","Lithium hydrogen antimony oxide (0.4/0.6/1/3)","","- H0.6 Li0.4 O3 Sb -","- H0.6 Li0.4 O3 Sb -","- H2.4 Li1.6 O12 Sb4 -","4","0.5","","Fourquet, J L; Gillet, P A; Le Bail, A","Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1).","Materials Research Bulletin","1989","24","","1207","1214","10.1016/0025-5408(89)90195-5","","","","","","0.0992","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000143","5.2526","0.0003","4.7331","0.0003","8.6322","0.0006","90","","90.8","0.5","90","","214.6","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Lithium hydrogen antimony oxide (0.3/0.7/1/3)","","- H0.67 Li0.33 O3 Sb -","- H1.335 Li0.165 O3 Sb -","- H5.34 Li0.66 O12 Sb4 -","4","1","","Fourquet, J L; Gillet, P A; Le Bail, A","Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1).","Materials Research Bulletin","1989","24","","1207","1214","10.1016/0025-5408(89)90195-5","","","","","","0.1072","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000220","16.982","0.003","11.372","0.002","7.663","0.001","90","","101.47","0.01","90","","1450.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium copper(II) iron fluoride (7/1/6/34)","","- Ba7 Cu F34 Fe6 -","- Ba7 Cu F34 Fe6 -","- Ba14 Cu2 F68 Fe12 -","2","0.25","","Renaudin, J; Ferey, G; Kozak, A de; Samouel, M","Fluorures complexes de cuivre(II). VI. Structure cristalline de Ba~7~ Cu Fe~6~ F~34~","Revue de Chimie Minerale","1987","24","","295","304","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001678","18.31819","0.0013","3.7828","0.0004","14.028","0.0016","90","","115.211","0.0006","90","","879.5","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","Tungsten oxide (18/49)","","- O49 W18 -","- O49 W18 -","- O49 W18 -","1","0.25","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Refinement et nouvelle analyse de la structure de W18 O49","Revue de Chimie Minerale","1987","24","","369","381","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001746","13.007","0.001","12.325","0.002","5.2829","0.0008","90","","90","","90","","846.9","","","","","","","","","","","","","4","C c m 21","C 2c -2c","36","","Rubidium phosphorus tungsten oxide (.5/8/8/40)","","- O40 P8 Rb0.5 W8 -","- O40 P8 Rb0.5 W8 -","- O40 P8 Rb0.5 W8 -","1","0.125","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Rbx P8 W8 O40: Un bronze-diphosphate de tungstene a tunnels octagonaux. Etude structurale comparee avec Cs P8 W8 O40","Revue de Chimie Minerale","1987","24","","153","164","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006023","5.5295","0.0003","11.2045","0.0006","5.4379","0.0003","90","","90","","90","","336.9","","","","","","","","","","","","","4","P c m 21","P 2c -2c","26","","Tricalcium titanium diiron(III) oxide","","- Ca3 Fe2 O8 Ti -","- Ca3 Fe2 O8 Ti -","- Ca6 Fe4 O16 Ti2 -","2","0.5","","Rodriguez Carvajal, J; Vallet Regi, M; Gonzalez Calbet, J M","Perovskite Threefold Superlattices: A Structure Determination of the A~3~ M~3~ O~8~ Phase","Materials Research Bulletin","1989","24","","423","430","10.1016/0025-5408(89)90023-8","","","","","","0.1281","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006024","5.4761","0.0002","11.1506","0.0004","5.3603","0.0002","90","","90","","90","","327.3","","","","","","","","","","","","","4","P c m 21","P 2c -2c","26","","Calcium manganese iron oxide (3/1.2/1.8/8)","","- Ca3 Fe1.8 Mn1.2 O8 -","- Ca3 Fe1.8 Mn1.2 O8 -","- Ca6 Fe3.6 Mn2.4 O16 -","2","0.5","","Rodriguez Carvajal, J; Vallet Regi, M; Gonzalez Calbet, J M","Perovskite Threefold Superlattices: A Structure Determination of the A~3~ M~3~ O~8~ Phase","Materials Research Bulletin","1989","24","","423","430","10.1016/0025-5408(89)90023-8","","","","","","0.0808","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007020","10.49","0.01","6.059","0.005","7.892","0.005","90","","116.28","0.05","90","","449.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tripotassium molybdate tetraoxorhenate(VII)","","- K3 Mo O8 Re -","- K3 Mo O8 Re -","- K6 Mo2 O16 Re2 -","2","0.25","","Silvestre, J P; Durif, A","Structure cristalline du molybdo-perrhenate de potassium K~3~ (Mo O~4~) (Re O~4~)","Journal of Solid State Chemistry","1978","24","","97","100","10.1016/S0022-4596(78)90187-1","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007021","18.38","0.09","8.258","0.003","5.952","0.002","90","","91.2","0.1","90","","903.2","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetramercury(I) nitrate phosphate hydrate","","- H2 Hg4 N O8 P -","- H2 Hg4 N O8 P -","- H8 Hg16 N4 O32 P4 -","4","1","","Durif, A; Tordjman, I; Masse, R; Guitel, J C","Structure cristalline du nitro-phosphate mercureux: Hg~4~ P O~4~ N O~3~ (H~2~ O)","Journal of Solid State Chemistry","1978","24","","101","105","10.1016/S0022-4596(78)90188-3","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008081","13.807","","13.807","","9.429","","90","","90","","120","","1556.7","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Heptasodium hexazirconium fluoride","","- F31 Na7 Zr6 -","- F31 Na7 Zr6 -","- F93 Na21 Zr18 -","3","0.166667","","Burns, J H; Ellison, R D; Levy, H A","The crystal structure of Na~7~ Zr~6~ F~31~","Acta Crystallographica B (24,1968-38,1982)","1968","24","","230","237","10.1107/S0567740868002013","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008090","6.63","0.01","13.36","0.02","14.43","0.02","90","","90","","90","","1278.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tris(dibromophosphazene)","","- Br6 N3 P3 -","- Br6 N3 P3 -","- Br24 N12 P12 -","4","0.5","","de Santis, P; Giglio, E; Ripamonti, A","The crystal structure of trimeric phosphonitrilic bromide.","Journal of Inorganic and Nuclear Chemistry","1962","24","","469","474","10.1016/0022-1902(62)80232-2","","","","","","0.21","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008434","5.894","0.001","5.894","0.001","43.742","0.006","90","","90","","120","","1316","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Barium cobalt hexairon(III) oxide","","- Ba Co Fe6 O11 -","- Ba Co1.005 Fe5.995 O11 -","- Ba6 Co6.03 Fe35.97 O66 -","6","0.166667","","Collomb, A; Hadj Farhat, M A; Joubert, J C","Cobalt Location in the Y-Type Hexagonal Ferrite : Ba Co Fe~6~ O~11~","Materials Research Bulletin","1989","24","","453","458","10.1016/0025-5408(89)90027-5","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008831","12.676","0.002","12.676","0.002","5.601","0.001","90","","90","","90","","900","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Neodymium rhenium oxide (4/2/11)","","- Nd4 O11 Re2 -","- Nd4 O11 Re2 -","- Nd16 O44 Re8 -","4","0.5","","Wilhelmi, K A; Lagervall, E; Muller, O","On the crystal structure of Nd4 Re2 O11","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3406","3408","10.3891/acta.chem.scand.24-3406","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008938","8.0483","","12.025","","5.8608","","90","","90","","90","","567.2","","","","","","","","","","","","","3","C m m a","-C 2a 2","67","","Rubidium hexafluoroprotactinate","","- F6 Pa Rb -","- F6 Pa Rb -","- F24 Pa4 Rb4 -","4","0.25","","Burns, J H; Levy, H A; Keller, O L","The crystal structure of rubidium hexafluoroprotactinate Rb Pa F6","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1675","1680","10.1107/S0567740868004838","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010299","4.332","0.006","4.332","0.006","6.64","0.008","90","","90","","90","","124.6","","","","","","","","","","","","","3","I -4","I -4","82","","Boron phosphate","","- B O4 P -","- B O4 P -","- B2 O8 P2 -","2","0.25","","Schulze, G E R","Die Kristallstruktur von B P O~4~ und B As O~4~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","24","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010300","4.458","0.006","4.458","0.006","6.796","0.008","90","","90","","90","","135.1","","","","","","","","","","","","","3","I -4","I -4","82","","Boron arsenate","","- As B O4 -","- As B O4 -","- As2 B2 O8 -","2","0.25","","Schulze, G E R","Die Kristallstruktur von B P O~4~ und B As O~4~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","24","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010326","5.143","0.006","5.143","0.006","5.143","0.006","90","","90","","90","","136","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium chloride","","- Cl Li -","- Cl Li -","- Cl4 Li4 -","4","0.0208333","","Ott, H","Die Raumgitter der Lithiumhalogenide.","Physikalische Zeitschrift","1923","24","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010327","6","0.007","6","0.007","6","0.007","90","","90","","90","","216","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium iodide","","- I Li -","- I Li -","- I4 Li4 -","4","0.0208333","","Ott, H","Die Raumgitter der Lithiumhalogenide","Physikalische Zeitschrift","1923","24","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010790","12.48","","7.55","","7.34","","90","","78.18","","90","","676.9","","","","","","","","","","","","from Cogne, Val d'Aosta, Italy","3","P 1 2/m 1","-P 2y","10","","Magnesium carbonate pentahydrate","Lansfordite","- H10 Mg O8 -","","","1","0.25","","Fenoglio, M; Millosevich, F","Ricerche sui carbonati naturali neutri e basici di magnesio idrati.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1936","24","","219","222","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010865","4.38","","4.38","","2.86","","90","","90","","90","","54.9","","","","","","","","","","","","from Elgersburg, Thuringia","3","","","","","Tetrahydrogen dimanganese octamanganese(IV) oxide","Pyrolusite","- H4 Mn10 O20 -","","","","","","Vaux, G; Bennett, H","X-ray studies on Pyrolusite (including Polianite) and Psilomelane.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1937","24","","521","526","10.1180/minmag.1937.024.157.02","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010867","18.48","","18.95","","6.54","","90","","89.35","","90","","2290.1","","","","","","","","","","","","","5","","","","","Calcium alumosilicate hydrate *","Scolecite","- Al2 Ca H6 O13 Si3 -","","","8","","","Hey, M H; Bannister, F A","Studies on the Zeolites. Part IX. Scolecite and Metascolecite.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1936","24","","227","253","10.1180/minmag.1936.024.152.02","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011059","10","","10","","6.65","","90","","90","","90","","665","","","","","","","","","","","","artificial","5","P -4 21 m","P -4 2ab","113","","Thallium tecto-20-oxotetraalumohexasilicate pentahydrate","Edingtonite (Tl)","- Al4 H10 O25 Si6 Tl4 -","- Al4 H5 O21.25 Si6 Tl4.0002 -","- Al4 H5 O21.25 Si6 Tl4.0002 -","1","0.125","","Taylor, W H","An X-ray examination of substituted Edingtonites.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1935","24","","208","240","10.1180/minmag.1935.024.151.03","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011363","5.489","0.007","5.489","0.007","5.489","0.007","90","","90","","90","","165.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium bromide","","- Br Li -","- Br Li -","- Br4 Li4 -","4","0.0208333","","Ott, H","Die Raumgitter der Lithiumhalogenide.","Physikalische Zeitschrift","1923","24","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1100279","17.051","0.006","10.017","0.002","23.759","0.03","90","","90","","90","","4058.03","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H56 Li2 N4 O4 S2 -","- C38 H54 Li2 N4 O4 S2 -","- C152 H216 Li8 N16 O16 S8 -","4","1","","Boche, Gernot; Marsch, Michael; Harms, Klaus; Sheldrick, George M.","X-Ray Structure Determination of [α-(Phenylsulfonyl)benzyllithium-Tetramethylethylenediamine]~2~: Chirality of an α-Sulfonyl ""Carbanion""","Angewandte Chemie, International Edition in English","1985","24","7","573","575","10.1002/anie.198505731","","","","","","","","","","","","","","","","","","","","","has coordinates","176970","2020-10-21","18:00:00",""
"1100788","21.365","0.006","15.428","0.005","6.697","0.005","90","","90","","90","","2207","1","294.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H30 Ir2 N4 -","- C22 H30 Ir2 N4 -","- C88 H120 Ir8 N16 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.052","","","","0.054","","","","","","1.001","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100789","8.888","0.005","11.704","0.004","12.696","0.004","88.75","0.03","86.05","0.04","76.3","0.04","1280.2","0.9","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Ir2 N4 O2 -","- C24 H30 Ir2 N4 O2 -","- C48 H60 Ir4 N8 O4 -","2","1","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.026","","","","0.026","","","","","","1.006","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100790","19.199","0.005","13.714","0.005","9.781","0.003","90","","90","","90","","2575","1","108.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H39 Ir2 N4 P -","- C25 H39 Ir2 N4 P -","- C100 H156 Ir8 N16 P4 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.058","","","","0.068","","","","","","1.006","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100791","12.084","0.004","12.105","0.004","19.525","0.007","99.37","0.01","91.82","0.01","118.88","0.01","2447","1","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 Ir2 N4 P2 -","- C56 H61 Ir2 N4 P2 -","- C112 H122 Ir4 N8 P4 -","2","1","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.031","","","","0.036","","","","","","1.005","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100792","12.68","0.002","12.734","0.002","32.297","0.004","90","","90","","90","","5214","1","293.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C55 H64 B Cl2 Ir2 N4 Rh -","- C55 H64 B Cl2 Ir2 N4 Rh -","- C220 H256 B4 Cl8 Ir8 N16 Rh4 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.051","","","","0.052","","","","","","1.007","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100798","11.3691","0.0015","13.9028","0.0009","15.137","0.002","90","","108.131","0.012","90","","2273.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 N2 Si2 Zr -","- C18 H36 N2 Si2 Zr -","- C72 H144 N8 Si8 Zr4 -","4","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.0683","0.0402","","","0.0886","0.1001","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100799","11.119","0.002","19.43","0.004","15.805","0.002","90","","106.355","0.011","90","","3276.4","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 N3 Si2 Zr -","- C33 H49 N3 Si2 Zr -","- C132 H196 N12 Si8 Zr4 -","4","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.1359","0.0636","","","0.121","0.1446","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1100800","9.7722","0.001","11.3369","0.0004","17.0066","0.0016","98.372","0.006","102.866","0.01","99.863","0.007","1776.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 N4 Si2 Ti -","- C36 H54 N4 Si2 Ti -","- C72 H108 N8 Si4 Ti2 -","2","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal–Alkyl and Metal–Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.1097","0.0614","","","0.1466","0.1654","","","","","","1.023","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100801","6.5764","0.0009","13.4764","0.0019","17.321","0.002","75.545","0.002","81.394","0.002","82.551","0.002","1462.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","1","0.5","","Mebi, Charles A.; Frost, Brian J.","Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H","Organometallics","2005","24","10","2339","2346","10.1021/om048987r","","","0.71073","MoKα","","0.1534","0.0669","","","0.1353","0.1524","","","","","","0.929","","","","has coordinates","180561","2020-10-21","18:00:00",""
"1100802","26.2152","0.0019","14.954","0.0011","6.4535","0.0005","90","","90","","90","","2529.9","0.3","123","2","123","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C17 H30 Cl F6 N6 O3 P3 Ru -","- C17 H30 Cl F6 N6 O3 P3 Ru -","- C68 H120 Cl4 F24 N24 O12 P12 Ru4 -","4","1","","Mebi, Charles A.; Frost, Brian J.","Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H","Organometallics","2005","24","10","2339","2346","10.1021/om048987r","","","0.71073","MoKα","","0.0745","0.0471","","","0.0918","0.0984","","","","","","0.928","","","","has coordinates","180561","2020-10-21","18:00:00",""
"1100803","18.2636","0.0011","9.3501","0.0004","9.2895","0.0004","90","","90","","90","","1586.34","0.14","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H23 Cl N2 O Pd -","- C13 H23 Cl N2 O Pd -","- C52 H92 Cl4 N8 O4 Pd4 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.","Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides","Organometallics","2005","24","10","2516","2527","10.1021/om048999c","","","0.71073","MoKα","","0.0166","0.0152","","","0.0381","0.0386","","","","","","1.044","","","","has coordinates","180560","2020-10-21","18:00:00",""
"1100804","8.6505","0.0005","11.8001","0.0005","18.7442","0.0014","83.546","0.005","87.742","0.005","70.234","0.004","1789.2","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H33 Cl3 F3 N3 O4 Pd S -","- C32 H33 Cl3 F3 N3 O4 Pd S -","- C64 H66 Cl6 F6 N6 O8 Pd2 S2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.","Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides","Organometallics","2005","24","10","2516","2527","10.1021/om048999c","","","0.71073","MoKα","","0.0361","0.029","","","0.0684","0.0705","","","","","","1.041","","","","has coordinates,has disorder","180560","2020-10-21","18:00:00",""
"1100809","9.0352","0.0003","20.1007","0.0008","18.2507","0.0007","90","","104.14","0.002","90","","3214.2","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ti{Me3SiNC(Ph)CH2CH2CH2NMe2}{OC(O)N-t-Bu}]","","- C30 H50 N4 O2 Si Ti -","- C30 H50 N4 O2 Si Ti -","- C120 H200 N16 O8 Si4 Ti4 -","4","1","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0597","","","","0.0496","","","","","","1.0724","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100810","12.7045","0.0004","16.1774","0.0004","22.812","0.0008","108.2","0.001","94.168","0.001","90.162","0.002","4440.5","","150","","150","","","","","","","","[Ti(N-t-Bu){Me3SiNC(C6H5)NCH2CH2NMe2}Cl] + CO2","6","P -1","-P 1","2","","[Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2NMe2}2]","","- C40 H62 N6 O2 Si2 Ti2 -","- C40 H62 N6 O2 Si2 Ti2 -","- C160 H248 N24 O8 Si8 Ti8 -","4","2","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0522","","","","0.0575","","","","","","0.2534","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100811","9.3597","0.0002","10.7886","0.0002","12.1749","0.0003","72.8419","0.0008","76.2046","0.0008","72.8192","0.0009","1106.74","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2CH2NMe2}2]","","- C42 H66 N6 O2 Si2 Ti2 -","- C42 H66 N6 O2 Si2 Ti2 -","- C42 H66 N6 O2 Si2 Ti2 -","1","0.5","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0367","","","0.0387","","","","","1.076","1.076","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100814","10.0185","0.0012","17.18","0.002","23.544","0.003","90","","98.977","0.003","90","","4002.7","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tri-μ-chloro-bis{(η^6^-ethoxybenzene)ruthenium(II)}(1+)tetraphenylborate(1-) 1 acetone solvate","","- C43 H46 B Cl3 O3 Ru2 -","- C43 H46 B Cl3 O3 Ru2 -","- C172 H184 B4 Cl12 O12 Ru8 -","4","1","","Soleimannejad, Janet; White, Colin","A Convenient One-Pot Synthesis of a Functionalized-Arene Ruthenium Half-Sandwich Compound [RuCl~2~(η^6^-C~6~H~5~OCH~2~CH~2~OH)]~2~","Organometallics","","24","10","2538","2541","10.1021/om049044x","","","0.71073","MoKα","","0.076","0.0443","","","0.1062","0.1208","","","","","","0.976","","","","has coordinates,has disorder","180565","2020-10-21","18:00:00",""
"1100815","6.149","0.003","9.548","0.004","9.604","0.005","116.519","0.011","108.648","0.009","91.492","0.008","468.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","di-μ-chloro-bis{chloro(η^6^-2-hydroxyethoxybenzene)ruthenium(II)}","","- C16 H20 Cl4 O4 Ru2 -","- C16 H20 Cl4 O4 Ru2 -","- C16 H20 Cl4 O4 Ru2 -","1","0.5","","Soleimannejad, Janet; White, Colin","A Convenient One-Pot Synthesis of a Functionalized-Arene Ruthenium Half-Sandwich Compound [RuCl~2~(η^6^-C~6~H~5~OCH~2~CH~2~OH)]~2~","Organometallics","","24","10","2538","2541","10.1021/om049044x","","","0.71073","MoKα","","0.1107","0.0727","","","0.1678","0.1857","","","","","","0.95","","","","has coordinates","180565","2020-10-21","18:00:00",""
"1100816","12.611","0.003","12.665","0.002","14.887","0.002","72.302","0.012","70.461","0.013","68.172","0.015","2035.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H43 F3 N Ni O P -","- C46 H43 F3 N Ni O P -","- C92 H86 F6 N2 Ni2 O2 P2 -","2","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.0781","0.0405","","","0.0643","0.0696","","","","","","0.872","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100817","10.782","0.003","38.013","0.011","10.424","0.003","90","","114.18","0.02","90","","3897.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N Ni O P -","- C46 H46 N Ni O P -","- C184 H184 N4 Ni4 O4 P4 -","4","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.0998","0.0438","","","0.0723","0.079","","","","","","0.915","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100818","9.299","0.003","21.609","0.006","18.37","0.013","90","","96.7","0.03","90","","3666","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 F3 N Ni O P -","- C41 H41 F3 N Ni O P -","- C164 H164 F12 N4 Ni4 O4 P4 -","4","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.1164","0.0677","","","0.1763","0.1924","","","","","","1.02","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100823","10.0582","0.0005","10.9779","0.0006","28.1698","0.0015","90","","90","","90","","3110.5","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H51 Si2 Y -","- C31 H51 Si2 Y -","- C124 H204 Si8 Y4 -","4","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0681","0.0426","","","0.0861","0.0968","","","","","","1.024","","","","has coordinates","282633","2023-04-14","12:39:59",""
"1100824","11.0875","0.001","19.7843","0.0018","15.6311","0.0014","90","","93.695","0.002","90","","3421.7","0.5","171","2","171","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H116 Al2 Si4 Y2 -","- C64 H116 Al2 Si4 Y2 -","- C128 H232 Al4 Si8 Y4 -","2","0.5","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.1233","0.0531","","","0.1111","0.1381","","","","","","1.021","","","","has coordinates","282633","2023-04-14","12:40:02",""
"1100825","29.2318","0.0015","29.2318","0.0015","10.1105","0.0007","90","","90","","90","","8639.4","0.9","163","2","163","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C23 H35 Si Y -","- C23 H30 Si Y -","- C368 H480 Si16 Y16 -","16","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0485","0.0361","","","0.0896","0.0965","","","","","","1.074","","","","has coordinates","282633","2023-04-14","12:40:04",""
"1100826","22.5779","0.0005","22.5779","0.0005","8.4111","0.0003","90","","90","","90","","4287.7","0.2","163","2","163","2","","","","","","","","3","I -4","I -4","82","","","","- C23 H35 Lu -","- C23 H35 Lu -","- C184 H280 Lu8 -","8","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0237","0.0214","","","0.0492","0.0504","","","","","","1.073","","","","has coordinates","282633","2023-04-14","12:40:07",""
"1100827","8.9218","0.0011","17.632","0.002","13.6181","0.0017","90","","90.066","0.002","90","","2142.3","0.5","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Y -","- C23 H35 Y -","- C92 H140 Y4 -","4","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0499","0.0304","","","0.0671","0.0732","","","","","","1.056","","","","has coordinates","282633","2023-04-14","12:40:08",""
"1100830","13.1163","0.0002","16.2269","0.0003","14.1022","0.0003","90","","117.693","0.001","90","","2657.65","0.09","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Au Cl2 P -","- C28 H26 Au Cl2 P -","- C112 H104 Au4 Cl8 P4 -","4","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0407","0.0371","","","0.0937","0.0961","","","","","","1.124","","","","has coordinates","282633","2023-04-14","12:40:11",""
"1100831","17.2772","0.0001","18.3213","0.0002","18.6586","0.0002","90","","90","","90","","5906.21","0.1","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Au N -","- C32 H46 Au N -","- C256 H368 Au8 N8 -","8","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0426","0.04","","","0.1229","0.126","","","","","","1.081","","","","has coordinates","282633","2023-04-14","12:40:14",""
"1100832","8.9747","0.0002","12.4383","0.0003","17.9334","0.0005","78.1633","0.0012","84.1125","0.0013","78.1765","0.0019","1913.93","0.08","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H106 Au2 Cl4 N2 -","- C82 H106 Au2 Cl4 N2 -","- C82 H106 Au2 Cl4 N2 -","1","0.5","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0668","0.04","","","0.0763","0.0848","","","","","","1.111","","","","has coordinates","282633","2023-04-14","12:40:19",""
"1100833","8.9539","0.0005","12.9892","0.0008","15.4944","0.0011","83.782","0.005","79.915","0.005","78.659","0.002","1734.47","0.19","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Au Cl2 P -","- C36 H28 Au Cl2 P -","- C72 H56 Au2 Cl4 P2 -","2","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0719","0.0597","","","0.1361","0.1434","","","","","","1.182","","","","has coordinates,has disorder","282633","2023-04-14","12:40:32",""
"1100834","9.2632","0.0001","11.1278","0.0002","12.1561","0.0002","82.9382","0.0006","73.8315","0.0006","78.437","0.0009","1176.05","0.03","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 Au P -","- C27 H24 Au P -","- C54 H48 Au2 P2 -","2","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0232","0.0231","","","0.0615","0.0617","","","","","","1.122","","","","has coordinates","282777","2023-04-20","11:56:39",""
"1100840","7.3561","0.0001","14.3852","0.0003","11.9104","0.0002","90","","90.843","0.0012","90","","1260.21","0.04","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H44 Cl2 O P2 Ru -","- C20 H44 Cl2 O P2 Ru -","- C40 H88 Cl4 O2 P4 Ru2 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0327","0.0286","","","0.0727","0.0752","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:39",""
"1100841","10.9035","0.0008","14.2678","0.0011","15.581","0.0013","68.844","0.004","89.075","0.005","83.462","0.005","2245","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H72 Cl3 F6 O2 P5 Ru2 -","- C32 H72 Cl3 F6 O2 P5 Ru2 -","- C64 H144 Cl6 F12 O4 P10 Ru4 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.186","0.1039","","","0.2273","0.2738","","","","","","1.037","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100842","11.829","0.0003","13.4628","0.0004","15.2504","0.0003","79.474","0.0015","87.028","0.0014","73.807","0.0013","2293.05","0.1","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H66 B Cl3 N2 O P2 Ru -","- C45 H66 B Cl3 N2 O P2 Ru -","- C90 H132 B2 Cl6 N4 O2 P4 Ru2 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.1021","0.0559","","","0.1234","0.1488","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100843","10.7468","0.0004","16.5738","0.0004","12.9615","0.0005","90","","109.736","0.0014","90","","2173.03","0.13","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Cl2 O P2 Ru -","- C16 H38 Cl2 O P2 Ru -","- C64 H152 Cl8 O4 P8 Ru4 -","4","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0741","0.0403","","","0.0812","0.0944","","","","","","1.078","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100844","10.7245","0.0002","13.8487","0.0004","15.4083","0.0004","90","","90","","90","","2288.45","0.1","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cl2 N2 O P2 Ru -","- C16 H36 Cl2 N2 O P2 Ru -","- C64 H144 Cl8 N8 O4 P8 Ru4 -","4","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0493","0.036","","","0.0751","0.0815","","","","","","1.085","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100845","11.7581","0.0005","12.0235","0.0006","17.3035","0.0008","105.799","0.001","95.97","0.001","98.834","0.001","2298.4","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[HFe(CH3CN)(PNP)(dmpm)][BPh4]","","","- C44 H68 B Fe N3 P4 -","- C44 H68 B Fe N3 P4 -","- C88 H136 B2 Fe2 N6 P8 -","2","1","","Henry, Renee M.; Shoemaker, Richard K.; Newell, Rachel H.; Jacobsen, George M.; DuBois, Daniel L.; Rakowski DuBois, M.","Stereochemical Control of Iron(II) Complexes Containing a Diphosphine Ligand with a Pendant Nitrogen Base","Organometallics","","24","10","2481","2491","10.1021/om050071c","","","0.71073","MoKα","","0.0658","0.054","","","0.1403","0.1515","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100846","21.873","0.01","13.629","0.006","24.754","0.011","90","","109.824","0.01","90","","6942","6","154","2","154","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(PNP)2(CH3CN)(CO)](BPh4)2","","","- C73 H97 B2 Fe N3 O P4 -","- C73 H97 B2 Fe N3 O P4 -","- C292 H388 B8 Fe4 N12 O4 P16 -","4","1","","Henry, Renee M.; Shoemaker, Richard K.; Newell, Rachel H.; Jacobsen, George M.; DuBois, Daniel L.; Rakowski DuBois, M.","Stereochemical Control of Iron(II) Complexes Containing a Diphosphine Ligand with a Pendant Nitrogen Base","Organometallics","","24","10","2481","2491","10.1021/om050071c","","","0.71073","MoKα","","0.2638","0.1074","","","0.223","0.3062","","","","","","0.896","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100847","33.5236","0.001","33.5236","0.001","8.7943","0.0004","90","","90","","90","","9883.3","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H38 B4 Cl2 Ru2 -","- C20 H38 B4 Cl2 Ru2 -","- C320 H608 B64 Cl32 Ru32 -","16","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.026","0.0241","","","0.0576","0.0586","","","","","","1.132","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100848","9.0023","0.0003","9.5781","0.0004","16.027","0.0006","76.678","0.001","79.159","0.001","67.732","0.001","1236.64","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 B4 Cl2 Ru2 -","- C20 H36 B4 Cl2 Ru2 -","- C40 H72 B8 Cl4 Ru4 -","2","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0251","0.0225","","","0.0556","0.057","","","","","","1.042","","","","has coordinates,has disorder","200397","2020-10-21","18:00:00",""
"1100849","10.5503","0.0004","13.9118","0.0005","17.6855","0.0007","90","","105.063","0.001","90","","2506.58","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B4 Cl3 Ru2 -","- C20 H35 B4 Cl3 Ru2 -","- C80 H140 B16 Cl12 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0256","0.0228","","","0.0575","0.0589","","","","","","1.025","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100850","22.027","0.003","12.4145","0.0014","23.813","0.003","90","","90","","90","","6511.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24.5 H43.84 B5 Cl3 Ru2 S -","- C24.5 H38 B5 Cl3 Ru2 S -","- C196 H304 B40 Cl24 Ru16 S8 -","8","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0372","0.0348","","","0.1026","0.1041","","","","","","1.163","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100851","8.4861","0.0004","20.9284","0.001","15.954","0.0007","90","","91.414","0.001","90","","2832.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 B5 Cl3 Ru2 S -","- C22 H38 B5 Cl3 Ru2 S -","- C88 H152 B20 Cl12 Ru8 S4 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0217","0.0203","","","0.0478","0.0484","","","","","","1.081","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100852","9.066","0.0005","32.7224","0.0017","9.1682","0.0005","90","","111.444","0.001","90","","2531.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B6 Cl3 Ru2 -","- C20 H33 B6 Cl3 Ru2 -","- C80 H132 B24 Cl12 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.051","0.0436","","","0.1052","0.1086","","","","","","1.122","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100853","14.5799","0.0009","11.3893","0.0007","17.7889","0.0011","90","","94.371","0.001","90","","2945.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 B6 Cl4 Ru2 -","- C21 H42 B6 Cl4 Ru2 -","- C84 H168 B24 Cl16 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0437","0.0323","","","0.0736","0.0786","","","","","","1.027","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100854","9.705","0.004","13.701","0.004","19.123","0.006","90","","90","","90","","2542.8","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 B8 Cl Ru2 -","- C20 H39 B8 Cl Ru2 -","- C80 H156 B32 Cl4 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0476","0.0451","","","0.1095","0.1108","","","","","","1.219","","","","has coordinates,has disorder","200397","2020-10-21","18:00:00",""
"1100855","18.032","0.004","10.346","0.002","21.479","0.004","90","","105.5","0.03","90","","3861.2","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Cl2 Fe4 N2 O8 -","- C39 H40 Cl2 Fe4 N2 O8 -","- C156 H160 Cl8 Fe16 N8 O32 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0584","0.0502","","","0.1353","0.1416","","","","","","1.062","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100856","9.3991","0.0019","19.964","0.004","10.132","0.002","90","","109.83","0.03","90","","1788.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Fe N O2 -","- C20 H21 Fe N O2 -","- C80 H84 Fe4 N4 O8 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0892","0.0494","","","0.1252","0.1452","","","","","","0.963","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100857","12.735","0.003","27.48","0.006","10.206","0.002","90","","112.8","0.03","90","","3292.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Fe4 N2 O4 -","- C36 H38 Fe4 N2 O4 -","- C144 H152 Fe16 N8 O16 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0956","0.0564","","","0.1226","0.1398","","","","","","1.054","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100858","9.92","0.002","34.927","0.007","14.849","0.003","90","","90","","90","","5144.6","1.8","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C27 H31 Fe2 N O2 Si -","- C27 H31 Fe2 N O2 Si -","- C216 H248 Fe16 N8 O16 Si8 -","8","","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0692","0.0478","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100859","14.7275","0.0005","28.8178","0.0009","9.7016","0.0003","90","","90","","90","","4117.5","0.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H24 Au Cl N2 -","- C21 H24 Au Cl N2 -","- C168 H192 Au8 Cl8 N16 -","8","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0184","0.0161","","","0.0387","0.0396","","","","","","1.094","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100860","8.4242","0.0003","21.933","0.0009","11.2534","0.0005","90","","91.06","0.001","90","","2078.91","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Au Cl N2 -","- C21 H26 Au Cl N2 -","- C84 H104 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0179","0.0173","","","0.0438","0.0441","","","","","","1.187","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100861","10.9098","0.0005","12.5994","0.0006","19.3635","0.0009","90","","90","","90","","2661.6","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Au Cl N2 -","- C27 H38 Au Cl N2 -","- C108 H152 Au4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0263","0.0187","","","0.0426","0.0467","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100862","8.084","0.0003","8.084","0.0003","20.631","0.0015","90","","90","","90","","1348.26","0.12","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 Au Cl N2 -","- C11 H20 Au Cl N2 -","- C44 H80 Au4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0206","0.0201","","","0.0494","0.0497","","","","","","1.155","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100863","10.405","0.002","8.4073","0.0018","11.068","0.002","90","","90","","90","","968.3","0.4","396","2","396","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Au Cl N2 -","- C7 H12 Au Cl N2 -","- C28 H48 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0698","0.0477","","","0.1035","0.1102","","","","","","1.08","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100864","9.557","0.0005","19.4416","0.001","17.6956","0.0009","90","","103.144","0.001","90","","3201.8","0.3","396","2","396","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Au2 Cl2 N4 -","- C30 H48 Au2 Cl2 N4 -","- C120 H192 Au8 Cl8 N16 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0386","0.0371","","","0.0881","0.0888","","","","","","1.079","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100865","14.5735","0.0007","11.7626","0.0006","12.9098","0.0006","90","","111.449","0.001","90","","2059.76","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Au Cl N2 -","- C23 H32 Au Cl N2 -","- C92 H128 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0225","0.0207","","","0.0524","0.0535","","","","","","1.096","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100866","7.3539","0.0004","10.8603","0.0005","14.5517","0.0007","91.929","0.001","91.323","0.001","101.547","0.001","1137.48","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Au Cl N3 -","- C11 H11 Au Cl N3 -","- C44 H44 Au4 Cl4 N12 -","4","2","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0218","0.0214","","","0.0634","0.0637","","","","","","1.077","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100867","38.8057","0.0019","10.9768","0.0006","15.7674","0.0008","90","","103.486","0.001","90","","6531.1","0.6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RuCl2(H2IMes)(=CH-Ph-CH=N-Ph)","","","- C35 H37 Cl2 N3 Ru -","- C35 H37 Cl2 N3 Ru -","- C280 H296 Cl16 N24 Ru8 -","8","1","","Slugovc, Christian; Burtscher, Daniel; Stelzer, Franz; Mereiter, Kurt","Thermally Switchable Olefin Metathesis Initiators Bearing Chelating Carbenes: Influence of the Chelate's Ring Size","Organometallics","2005","24","10","2255","2258","10.1021/om050141f","","","0.71073","MoKα","","0.0742","0.0498","","","0.1207","0.1342","","","","","","1.046","","","","has coordinates,has disorder","282777","2023-04-20","11:56:41",""
"1100868","27.76","0.04","15.49","0.02","17.149","0.005","90","","92.59","0.04","90","","7366","15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RuCl2(H2IMes)(=CH-Ph-N=CH-Ph).solv","","","- C35 H37 Cl2 N3 Ru -","- C37.489 H37 Cl2 N3 Ru -","- C299.912 H296 Cl16 N24 Ru8 -","8","1","","Slugovc, Christian; Burtscher, Daniel; Stelzer, Franz; Mereiter, Kurt","Thermally Switchable Olefin Metathesis Initiators Bearing Chelating Carbenes: Influence of the Chelate's Ring Size","Organometallics","2005","24","10","2255","2258","10.1021/om050141f","","","0.71073","MoKα","","0.0996","0.0586","","","0.1214","0.1692","","","","","","1.176","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100869","9.5092","0.0001","17.3418","0.0002","18.1765","0.0002","69.709","0.0005","88.5567","0.0005","89.6242","0.0005","2810.52","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","fac-[(2-methoxycarbonylethynil)tricarbonyl(bis(diphenylphosphanyl)methane) manganese(I)]","","- C64 H50 Mn2 O10 P4 -","- C64 H50 Mn2 O10 P4 -","- C128 H100 Mn4 O20 P8 -","2","1","","Ruiz, J.; Quesada, R.; Vivanco, M.; Castellano, E. E.; Piro, O. E.","Stepwise Formation of σ-Alkynyl, Vinylidene, and Vinylphosphonium Complexes of Manganese(I)","Organometallics","2005","24","10","2542","2545","10.1021/om050146c","","","0.71073","MoKα","","0.0394","0.032","","","0.0939","0.1016","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100870","10.2407","0.0002","16.6566","0.0004","18.3683","0.0004","90","","95.65","0.001","90","","3118","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","fac-[tricarbonyl(2-methoxycarbonylvinyliden(diphenylphosphanylmethyl)diphenylphosphorane)maganese(I)] tetrafluoroborate","","- C32 H26 B F4 Mn O5 P2 -","- C32 H26 B F4 Mn O5 P2 -","- C128 H104 B4 F16 Mn4 O20 P8 -","4","1","","Ruiz, J.; Quesada, R.; Vivanco, M.; Castellano, E. E.; Piro, O. E.","Stepwise Formation of σ-Alkynyl, Vinylidene, and Vinylphosphonium Complexes of Manganese(I)","Organometallics","2005","24","10","2542","2545","10.1021/om050146c","","","0.71073","MoKα","","0.0472","0.0373","","","0.0945","0.101","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100871","42.11","0.005","10.6323","0.0009","20.577","0.002","90","","117.67","0.006","90","","8159.4","1.4","163","","163","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H51 F12 N O2 P2 W -","- C35 H51 F12 N O2 P2 W -","- C280 H408 F96 N8 O16 P16 W8 -","8","1","","Jamison, Gregory M.; Wheeler, David R.; Loy, Douglas A.; Ziller, Joseph W.","Double Phosphaalkyne Insertion to a Tungsten Alkylidene: Formation of a Diphosphametallabicyclobutane","Organometallics","2005","24","10","2245","2247","10.1021/om050150o","","","0.71073","MoKα","","0.0467","0.0317","","0.0714","0.065","","","","1.06","1.085","1.085","","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100872","14.6994","0.0004","17.0733","0.0005","18.7037","0.0006","113.789","0.001","93.112","0.001","95.302","0.001","4255.2","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H134 N10 Sm2 -","- C92 H134 N10 Sm2 -","- C184 H268 N20 Sm4 -","2","1","","Wang, Jun; Amos, Ruth I. J.; Frey, Alistair S. P.; Gardiner, Michael G.; Cole, Marcus L.; Junk, Peter C.","Reversible Sm(III)/Sm(II) Redox Chemistry of an Organosamarium(III) Complex","Organometallics","2005","24","10","2259","2261","10.1021/om050172a","","","0.71073","MoKα","","0.0821","0.0436","","","0.0935","0.1075","","","","","","1.015","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100874","39.057","0.0013","18.0757","0.0006","22.9961","0.0007","90","","126.005","0.001","90","","13133.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 O13 P2 Pt2 Ru5 -","- C52 H74 O13 P2 Pt2 Ru5 -","- C416 H592 O104 P16 Pt16 Ru40 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties","Organometallics","2005","24","10","2419","2423","10.1021/om050175n","","","0.71073","MoKα","","0.0731","0.0509","","","0.1155","0.124","","","","","","1.095","","","","has coordinates","180566","2020-10-21","18:00:00",""
"1100875","14.7755","0.0008","16.3794","0.0009","17.372","0.001","80.34","0.001","66.324","0.001","71.645","0.001","3650.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H90 O13 P3 Pt3 Ru5 -","- C61 H90 O13 P3 Pt3 Ru5 -","- C122 H180 O26 P6 Pt6 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties","Organometallics","2005","24","10","2419","2423","10.1021/om050175n","","","0.71073","MoKα","","0.0673","0.0485","","","0.1275","0.1401","","","","","","1.019","","","","has coordinates","180566","2020-10-21","18:00:00",""
"1100878","14.12","0.004","24.452","0.007","11.08","0.003","90","","90.92","0.02","90","","3825","2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H33 O8 Ru3 -","- C43 H26 O8 Ru3 -","- C172 H104 O32 Ru12 -","4","0.5","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0721","0.0367","","","0.0788","0.0827","","","","","","0.917","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100879","10.6747","0.0013","12.9415","0.0016","23.694","0.003","88.432","0.003","83.478","0.003","73.94","0.004","3125.1","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H56 O11 Ru3 -","- C75 H56 O11 Ru3 -","- C150 H112 O22 Ru6 -","2","1","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.1234","0.0597","","","0.1071","0.1187","","","","","","0.946","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100880","10.4959","0.0017","12.347","0.002","12.762","0.002","75.86","0.003","83.084","0.003","76.385","0.003","1555.2","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H56 O12 Ru4 -","- C76 H56 O12 Ru4 -","- C76 H56 O12 Ru4 -","1","0.5","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0777","0.0437","","","0.1042","0.1227","","","","","","0.986","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100881","11.2554","0.0012","14.1456","0.0015","14.174","0.0015","65.566","0.002","80.367","0.002","70.567","0.002","1936.4","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 O8 Ru2 -","- C44 H40 O8 Ru2 -","- C88 H80 O16 Ru4 -","2","1","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0729","0.0514","","","0.1139","0.1225","","","","","","1.045","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100887","7.265","0.003","11.059","0.004","22.303","0.008","90","","91.824","0.005","90","","1791.2","1","168","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Fe -","- C26 H18 Fe -","- C104 H72 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","","","","0.0608","0.0423","","","0.101","0.1075","","","","","","0.919","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100888","7.81","0.005","9.956","0.006","13.205","0.008","107.54","0.006","101.733","0.007","100.521","0.006","925.4","1","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 Fe -","- C28 H18 Fe -","- C56 H36 Fe2 -","2","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0515","0.0374","","","0.0894","0.093","","","","","","0.966","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100889","11.421","0.001","10.868","0.001","17.2066","0.0016","90","","99.609","0.001","90","","2105.8","0.3","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Fe -","- C32 H20 Fe -","- C128 H80 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0891","0.0754","","","0.2192","0.2279","","","","","","1.066","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100890","7.7278","0.0004","10.5188","0.0009","12.0885","0.0008","101.449","0.005","100.901","0.004","95.453","0.005","936.69","0.11","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 Fe -","- C26 H20 Fe -","- C52 H40 Fe2 -","2","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0436","0.0345","","","0.0905","0.1033","","","","","","0.613","","","","has coordinates,has disorder","209832","2020-10-21","18:00:00",""
"1100891","19.12","0.03","7.379","0.009","14.89","0.03","90","","110.62","0.03","90","","1966","5","168","2","168","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1-ferrocenyl-2-(1-pyrenyl) ethene","","- C28 H20 Fe -","- C28 H20 Fe -","- C112 H80 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.102","0.0363","","","0.0594","0.0696","","","","","","0.829","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100892","6.0387","0.0001","32.3369","0.0005","15.9373","0.0002","90","","103.062","0.0006","90","","3031.6","0.08","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 F20 O0.18 P2 -","- C32 H8 F20 O0.18 P2 -","- C128 H32 F80 O0.72 P8 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP–Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0615","0.0381","","","0.0929","0.1046","","","","","","1.072","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100893","10.1565","0.0002","25.6619","0.0005","16.1795","0.0003","90","","110.544","0.0008","90","","3948.77","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H10 B F24 N P2 Pd -","- C34 H10 B F24 N P2 Pd -","- C136 H40 B4 F96 N4 P8 Pd4 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0577","0.0407","","","0.0931","0.1001","","","","","","1.04","","","","has coordinates,has disorder","210323","2020-10-21","18:00:00",""
"1100894","15.4853","0.0001","13.6515","0.0001","26.0274","0.0002","90","","122.559","0.0003","90","","4637.39","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.7 H23.8 Cl F20 P2 Pd -","- C46.7 H23.8 Cl F20 P2 Pd -","- C186.8 H95.2 Cl4 F80 P8 Pd4 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0542","0.043","","","0.1286","0.1381","","","","","","1.06","","","","has coordinates,has disorder","210323","2020-10-21","18:00:00",""
"1100895","16.8425","0.0003","21.51","0.0004","36.4135","0.0007","90","","100.741","0.0006","90","","12960.8","","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Nb(NtBu){MeC(2-C5H4N)(CH2NSiMe3)(CH2NC(OSiMe3)NtBu)}Cl]","","- C24 H47 Cl N5 Nb O Si2 -","- C24 H47 Cl N5 Nb O Si2 -","- C384 H752 Cl16 N80 Nb16 O16 Si32 -","16","4","","Ward, Benjamin D.; Orde, Gavin; Clot, Eric; Cowley, Andrew R.; Gade, Lutz H.; Mountford, Philip","Reactions of Neutral and Cationic Diamide-Supported Imido Complexes with CO <sub>2</sub> and Other Heterocumulenes: Issues of Site Selectivity","Organometallics","2005","24","10","2368","2385","10.1021/om0500265","","","0.71073","MoKα","","","0.0433","","","","0.0501","","","","","","1.0441","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100899","11.4596","0.0005","12.0029","0.0005","16.3524","0.0007","78.569","0.001","89.576","0.001","75.536","0.001","2132.65","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H69 Ge N2 P2 Si4 -","- C35 H68 Ge N2 P2 Si4 -","- C70 H136 Ge2 N4 P4 Si8 -","2","1","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0299","0.0268","","","0.0755","0.0776","","","","","","1.036","","","","has coordinates","210321","2020-10-21","18:00:00",""
"1100900","48.748","0.003","11.2312","0.0006","11.141","0.0006","90","","90","","90","","6099.7","0.6","160","2","160","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C44 H92 Ge I2 Li2 N2 O3 P2 Si4 -","- C44 H92 Ge I2 Li2 N2 O3 P2 Si4 -","- C176 H368 Ge4 I8 Li8 N8 O12 P8 Si16 -","4","1","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0581","0.0476","","","0.0965","0.0998","","","","","","1.106","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100901","23.4873","0.0005","23.4873","0.0005","23.4873","0.0005","90","","90","","90","","12956.8","0.5","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C48 H93 Ge K N3 P3 Si6 -","- C48 H93 Ge K N3 P3 Si6 -","- C384 H744 Ge8 K8 N24 P24 Si48 -","8","0.333333","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0548","0.0402","","","0.1185","0.1358","","","","","","1.167","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100902","9.814","0.004","9.861","0.004","11.505","0.005","101.19","0.03","111.44","0.04","101.37","0.03","971.9","0.7","243.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Cl2 N2 V -","- C17 H27 Cl2 N2 V -","- C34 H54 Cl4 N4 V2 -","2","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.036","","","","0.045","","","","","","1.056","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100903","9.838","0.001","12.565","0.002","20.509","0.003","90","","95.857","0.004","90","","2521.9","0.6","243.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl2 N2 P V -","- C20 H36 Cl2 N2 P V -","- C80 H144 Cl8 N8 P4 V4 -","4","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.057","","","","0.068","","","","","","1.064","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100904","29.52","0.003","10.9241","0.0005","18.578","0.001","90","","109.683","0.003","90","","5641","0.7","243.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cl2 N2 P2 V -","- C23 H43 Cl2 N2 P2 V -","- C184 H344 Cl16 N16 P16 V8 -","8","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.043","","","","0.048","","","","","","1.094","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100905","10.554","0.002","10.944","0.002","13.145","0.003","98.745","0.008","92.067","0.009","98.33","0.01","1482.2","0.5","243.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 N2 P Si V -","- C24 H46 N2 P Si V -","- C48 H92 N4 P2 Si2 V2 -","2","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.054","","","","0.067","","","","","","1.02","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1200014","4.812","0.001","4.812","0.001","16.02","0.003","90","","90","","120","","321.3","","","","","","","","","","","","from Oberdorf, Styria, Austria","4","R -3 :H","-R 3","148","","Calcium magnesium carbonate","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Beran, A.; Zemann, J.","Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite","TMPM, Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","4","279","286","10.1007/BF01081130","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1507761","8.3242","0.0003","7.2502","0.0003","11.8875","0.0004","90","","90","","90","","717.44","0.05","293","","293","","","","","","","","Thermal decomposition of K2(H5O2)Al2F9 Le Bail, A., Duroy, H. and Fourquet, J.L. (1992). J. Solid State Chem. 98, 151-158.","3","P n m a","-P 2ac 2n","62","potassium tetrafluoroaluminate","","","- Al F4 K -","- Al F4 K -","- Al8 F32 K8 -","8","1","","Le Bail, A","Ab initio structure determination of theta-KAlF4 with edge-sharing AlF6 octahedra","Powder Diffraction","2009","24","3","185","190","10.1154/1.3194692","powder diffraction","","","X-ray","","","","","","","","","4.9679","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507767","3.6121","0.0003","14.952","0.0012","5.2692","0.0004","90","","90","","90","","284.58","0.04","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al F4 Na -","- Al F4 Na -","- Al4 F16 Na4 -","4","0.25","","Le Bail, A","Crystal structure of NaAlF4, a new aristotype","Powder Diffraction","2009","24","4","301","305","10.1154/1.3257603","","","","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507768","13.5135","0.00016","7.04327","0.00013","12.2253","0.0002","90","","90","","90","","1163.59","0.03","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Al3 F12 H4 K3 O2 -","- Al3 F12 K3 O2 -","- Al12 F48 K12 O8 -","4","0.5","","Le Bail, A","Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1)","Powder Diffraction","2009","24","","292","300","10.1154/1.3257585","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507769","7.0523","0.0005","12.1005","0.0009","6.7057","0.0005","90","","90","","90","","572.24","0.07","443","2","443","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Al3 F12 H2 K3 O -","- Al3 F12 K3 O -","- Al6 F24 K6 O2 -","2","0.25","","Le Bail, A","Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1)","Powder Diffraction","2009","24","","292","300","10.1154/1.3257585","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508435","13.9751","0.001","6.2091","0.0004","6.3753","0.0004","90","","90","","90","","553.2","0.06","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu H3 O7 S Tb -","- Cu H3 O7 S Tb -","- Cu4 H12 O28 S4 Tb4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0198","0.0188","","","0.0482","0.0486","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508436","13.264","0.0009","6.1681","0.0004","6.5148","0.0005","90","","90","","90","","533","0.06","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H3 Ni O7 S Tb -","- H3 Ni O7 S Tb -","- H12 Ni4 O28 S4 Tb4 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0346","0.0339","","","0.0844","0.0848","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508437","13.256","0.0008","6.132","0.0004","6.4907","0.0004","90","","90","","90","","527.6","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Dy H3 Ni O7 S -","- Dy H3 Ni O7 S -","- Dy4 H12 Ni4 O28 S4 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.032","0.0316","","","0.0812","0.0814","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508438","7.0908","0.0006","7.2442","0.0006","10.3789","0.0009","90","","90","","90","","533.13","0.08","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Gd H3 Ni O7 S -","- Gd H3 Ni O7 S -","- Gd4 H12 Ni4 O28 S4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0219","0.0182","","","0.0432","0.0443","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508439","7.0438","0.0015","7.2424","0.0015","10.333","0.002","90","","90","","90","","527.13","0.19","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H3 Ni O7 S Tb -","- H3 Ni O7 S Tb -","- H12 Ni4 O28 S4 Tb4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0218","0.0202","","","0.0528","0.0536","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508440","6.9667","0.0008","7.2008","0.0008","10.2499","0.0012","90","","90","","90","","514.19","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Dy H3 Ni O7 S -","- Dy H3 Ni O7 S -","- Dy4 H12 Ni4 O28 S4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.025","0.0214","","","0.055","0.0562","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508441","11.6889","0.0007","6.866","0.0004","12.528","0.0008","90","","97.092","0.001","90","","997.75","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cu F H5 O12 S2 Tb2 -","- Cu F H5 O12 S2 Tb2 -","- Cu4 F4 H20 O48 S8 Tb8 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.037","0.0358","","","0.1039","0.1048","","","","","","1.18","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509127","3.732","","3.732","","3.944","","90","","90","","90","","54.931","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Silver indium cerium (0.5/0.5/1) - LT","","- Ag0.5 Ce In0.5 -","- Ag0.5 Ce In0.5 -","- Ag0.5 Ce In0.5 -","1","0.0625","","Methfessel, S.; Ihrig, H.","Martensitic transformation in CeAg~x~In~1-x~ and other lanthanide compounds","Zeitschrift für Physik B","1976","24","4","381","383","10.1007/BF01351529","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1509183","3.78","","3.78","","3.78","","90","","90","","90","","54.01","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Ce -","- Ag Ce -","- Ag Ce -","1","0.0208333","","Methfessel, S.; Ihrig, H.","Martensitic transformation in CeAg~x~In~1-x~ and other lanthanide compounds","Zeitschrift für Physik B","1976","24","4","381","383","10.1007/BF01351529","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509388","5.062","","5.062","","5.062","","90","","90","","90","","129.708","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Ag I -","- Ag1.0002 I -","- Ag2.0004 I2 -","2","0.0208333","","Cava, R.J.; Reidinger, F.; Wuensch, B.J.","Single-crystal neutron-diffraction study of Ag I","Solid State Communications","1977","24","","411","416","10.1016/0038-1098(77)91306-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509429","3.814","","3.814","","3.814","","90","","90","","90","","55.481","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag La -","- Ag La -","- Ag La -","1","0.0208333","","Methfessel, S.; Shelton, R.N.; Schilling, J.S.","La Ag under hydrostatic pressure: superconductivity and phase transformation","Solid State Communications","1977","24","","659","664","10.1016/0038-1098(77)90385-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510061","4.245","","4.245","","7.87","","90","","90","","120","","122.818","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ca (Au P)","","- Au Ca P -","- Au Ca P -","- Au2 Ca2 P2 -","2","0.0833333","","Iandelli, A.","The structue of some ternary phases of calcium","Revue de Chimie Minerale","1987","24","","28","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510062","4.606","","4.606","","7.789","","90","","90","","120","","143.107","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ca (Au Sb)","","- Au Ca Sb -","- Au Ca Sb -","- Au2 Ca2 Sb2 -","2","0.0833333","","Iandelli, A.","The structue of some ternary phases of calcium","Revue de Chimie Minerale","1987","24","","28","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510114","3.676","","3.956","","39.72","","90","","90","","90","","577.618","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Au Cu -","- Au Cu -","- Au20 Cu20 -","20","1.25","","Iwasaki, H.; Ogawa, S.; Okamura, K.","Lattice modulation in the long period ordered alloys studied by X-ray diffraction. 2. Au Cu2","Journal of the Physical Society of Japan","1968","24","","569","579","10.1143/JPSJ.24.569","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510182","7.313","","7.6242","","7.255","","90","","106.263","","90","","388.322","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Au Te I","","- Au I Te -","- Au I Te -","- Au4 I4 Te4 -","4","1","","Fenner, J.; Mootz, D.","The crystal structure of gold telluride iodide Au Te I","Journal of Solid State Chemistry","1978","24","","367","369","10.1016/0022-4596(78)90028-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510579","6.9937","","6.9937","","10.148","","90","","90","","120","","429.858","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Au6 Hg5 -","- Au6 Hg5 -","- Au12 Hg10 -","2","0.0833333","","Lindahl, T.","The crystal structure of Au6 Hg5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","946","952","10.3891/acta.chem.scand.24-0946","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510599","6.851","","6.851","","6.851","","90","","90","","90","","321.56","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au Bi Ca -","- Au Bi Ca -","- Au4 Bi4 Ca4 -","4","0.0416667","","Iandelli, A.","The structure of some ternary phases of calcium","Revue de Chimie Minerale","1987","24","","28","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510607","8.687","","6.42","","12.29","","90","","95.568","","90","","682.186","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K Au Cl3.69 Br0.31","","- Au Br0.31 Cl3.69 K -","- Au Br0.31 Cl3.69 K -","- Au4 Br1.24 Cl14.76 K4 -","4","1","","Omrani, H.; Mercier, R.; Vangelisti, R.","Etude radiocristallographique des solutions solides K Au Cl3.69 Br0.31, K Au Cl1.94 Br2.06, K Au Cl1.82 Br2.18 .2(H2 O)","Annales de Chimie (Paris)","1999","24","","217","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510613","8.789","","6.578","","12.562","","90","","96.147","","90","","722.084","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K Au Cl1.94 Br2.06","","- Au Br2.06 Cl1.94 K -","- Au Br2.06 Cl1.94 K -","- Au4 Br8.24 Cl7.76 K4 -","4","1","","Vangelisti, R.; Mercier, R.; Omrani, H.","Etude radiocristallographique des solutions solides K Au Cl3.69 Br0.31, K Au Cl1.94 Br2.06, K Au Cl1.82 Br2.18 . 2(H2 O)","Annales de Chimie (Paris)","1999","24","","217","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510802","2.9","","2.9","","7.333","","90","","90","","120","","53.408","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","V0.4 Os0.6 B2","","- B2 Os0.6 V0.4 -","- B2 Os0.6 V0.4 -","- B4 Os1.2 V0.8 -","2","0.0833333","","Rogl, P.; Rudy, E.","New complex borides with Re B2- and Mo2 Ir B2-type structure","Journal of Solid State Chemistry","1978","24","","175","181","10.1016/0022-4596(78)90007-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511269","8.632","","8.632","","4.29","","90","","90","","90","","319.654","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ni4.6 Si2 B","","- B Ni4.6 Si2 -","- B Ni4.58 Si2 -","- B4 Ni18.32 Si8 -","4","0.125","","Rundqvist, S.; Uraz, A.A.","A ternary W5 Si3 -type phase in the Ni-Si-B system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","1843","1844","10.3891/acta.chem.scand.24-1843","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511397","7.402","","7.402","","7.402","","90","","90","","90","","405.553","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sc B12","","- B12 Sc -","- B12 Sc -","- B48 Sc4 -","4","0.0208333","","Zavalii, L.V.; Bruskov, V.A.; Kuz'ma, Yu.B.","Crystal structure of Sc B12","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","506","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511400","7.093","","7.093","","7.594","","90","","90","","90","","382.059","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Co Lu4 B13","","- B13 Co Lu4 -","- B13 Co Lu4 -","- B26 Co2 Lu8 -","2","0.125","","Dub, O.M.; Kuz'ma, Yu.B.; Shostak, Y.M.","The ternary Lu-Co-B system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1270","1274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511476","7.419","","7.419","","14.955","","90","","90","","90","","823.147","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Lu Ru4 B4","","- B4 Lu Ru4 -","- B4 Lu Ru4 -","- B32 Lu8 Ru32 -","8","0.25","","Johnston, D.C.","Superconductivity in a new ternary structure class of boride compounds","Solid State Communications","1977","24","","699","702","10.1016/0038-1098(77)90078-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511481","5.503","","5.367","","2.949","","90","","122.71","","90","","73.285","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Mn B4","","- B4 Mn -","- B4 Mn -","- B8 Mn2 -","2","0.25","","Carlsson, J.O.; Andersson, S.","The crystal structure of Mn B4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","1791","1799","10.3891/acta.chem.scand.24-1791","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511495","5.7853","","11.208","","3.2737","","90","","90","","90","","212.272","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Sc Ni B4","","- B4 Ni Sc -","- B4 Ni Sc -","- B16 Ni4 Sc4 -","4","0.5","","Mikhalenko, S.I.; Zavalii, L.V.; Kuz'ma, Yu.B.","New scandium borides with the yttrium chromium boride (Y Cr B4) type structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1814","1816","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511516","7.174","","7.174","","4.0641","","90","","90","","90","","209.164","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Sm B4","","- B4 Sm -","- B4 Sm -","- B16 Sm4 -","4","0.25","","Zavalii, L.V.; Kuz'ma, Yu.B.; Bruskov, V.A.","Strukturanalyse von Sm B4.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1576","1577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511577","8.99","","11.312","","3.494","","90","","90","","90","","355.322","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Co Lu2 B6","","- B6 Co Lu2 -","- B6 Co Lu2 -","- B24 Co4 Lu8 -","4","0.5","","Kuz'ma, Yu.B.; Shostak, Y.M.; Dub, O.M.","The ternary Lu-Co-B system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1270","1274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511768","12.72","0.005","13.688","0.007","8.079","0.002","90","","107.06","0.04","90","","1344.8","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N5 O4 -","- C13 H13 N5 O4 -","- C52 H52 N20 O16 -","4","1","","Carmen Enrique; Miguel Quirós; M. Angustias Romero; Juan M. Salas; M. Purificación Sánchez; Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; J. Daniel Martín","Synthesis, Characterization, and Crystal Structure of 1,3,7,9-Tetramethylpyrido-[2,3-d:6,5-d']-dipyrimidine-2,4,6,8-tetrone","Journal of Chemical Crystallography","1994","24","","465","468","10.1007/BF01666096","","","1.54178","CuKα","","","0.059","","","0.084","","","","","0.45","0.45","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511771","15.129","0.001","8.512","0.001","12.663","0.001","90","","104.05","0.01","90","","1581.9","0.3","294","2","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetrakis(Thiourea)-palladium dichloride bis(5,7-dimethyl(1,2,4)triazolo(1,5-a)pyrimidine) dihydrate","","- C18 H36 Cl2 N16 O2 Pd S4 -","- C18 Cl2 N16 O2 Pd S4 -","- C36 Cl4 N32 O4 Pd2 S8 -","2","0.5","","Juan M. Salas; Abderrahman Rahmani; M. Angustias Romero; Miguel Quirós; Edward R.T. Tiekink","Spectroscopic, Thermal, and X-ray Diffraction Studies of Tetrakis(thiourea)palladium Chloride Bis(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine) Dihydrate","Journal of Chemical Crystallography","1994","24","10","669","673","10.1007/BF01668228","","","0.71073","MoKα","","","0.034","","","","0.038","","","","","","1.89","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512668","11.8224","0.0006","6.9276","0.0003","12.0972","0.0005","90","","91.513","0.004","90","","990.43","0.08","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","","Malinka Stoyanova; Rositsa Nikolova; Boris Shivachev; Vladimir Dimitrov","Highly efficient synthesis of chiral aminoalcohols with camphane skeleton","Tetrahedron: Asymmetry","2013","24","","1426","","10.1016/j.tetasy.2013.08.015","","","1.54184","CuKα","","0.0887","0.0773","","","0.2141","0.2284","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512669","8.8858","0.0001","11.273","0.0002","21.7155","0.0003","90","","90","","90","","2175.23","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C88 H160 O16 -","8","2","","Malinka Stoyanova; Rositsa Nikolova; Boris Shivachev; Vladimir Dimitrov","Highly efficient synthesis of chiral aminoalcohols with camphane skeleton","Tetrahedron: Asymmetry","2013","24","","1426","","10.1016/j.tetasy.2013.08.015","","","1.54184","CuKα","","0.0406","0.0376","","","0.1127","0.1245","","","","","","0.958","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512902","22.96","0.008","15.372","0.005","27.916","0.01","90","","100.058","0.006","90","","9701","6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3) Hf4(O)(cat)6(cat-H)2(py)4","","","- C68 H52 Hf4 N4 O17 -","- C68 H52 Hf4 N4 O17 -","- C272 H208 Hf16 N16 O68 -","4","1","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.1458","0.112","","","0.2854","0.3038","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512903","9.9941","0.0012","10.3747","0.0012","31.784","0.004","90","","97.73","0.002","90","","3265.6","0.7","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4) Nb(cat)2(cat-H)(py)","","","- C38 H32 N4 Nb O6 -","- C38 H32 N4 Nb O6 -","- C152 H128 N16 Nb4 O24 -","4","1","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.0724","0.0449","","","0.1032","0.1196","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512904","10.5834","0.0015","11.7465","0.0016","20.504","0.003","105.338","0.002","92.582","0.002","95.276","0.002","2441.4","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","(5) [Ta(cat)3(py)]","","","- C28 H22 N2 O6 Ta -","- C28 H22 N2 O6 Ta -","- C112 H88 N8 O24 Ta4 -","4","2","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.0527","0.0396","","","0.0802","0.0863","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512905","13.44","0.002","13.442","0.002","14.26","0.002","107.272","0.002","97.817","0.002","96.66","0.002","2403.7","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(2) Zr4(O)2(OFc)2(OPri)10","","","- C32 H72 O16 Zr4 -","- C32 H72 O16 Zr4 -","- C64 H144 O32 Zr8 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0777","0.051","","","0.1234","0.1422","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512906","9.8983","0.0018","10.6175","0.0019","18.776","0.003","80.995","0.003","75.404","0.003","84.231","0.003","1882.2","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(3) Zr3(O)(OAc)5(OPri)5","","","- C25 H50 O16 Zr3 -","- C25 H50 O16 Zr3 -","- C50 H100 O32 Zr6 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0645","0.0398","","","0.0877","0.105","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512907","11.208","0.002","12.049","0.002","14.234","0.003","85.227","0.003","81.458","0.003","67.976","0.003","1761.4","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(4) [Zr2(m-OPc)2(m-OPri)2(OPri)4]2","","","- C52 H112 O20 Zr4 -","- C52 H112 O20 Zr4 -","- C52 H112 O20 Zr4 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1693","0.0868","","","0.1136","0.1342","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512908","12.737","0.003","12.943","0.003","15.756","0.004","76.786","0.004","86.427","0.004","61.086","0.003","2209.9","0.9","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(5) Zr2(OBc)(OPri)7(HOPri)*(HOPri)","","","- C32 H74 O11 Zr2 -","- C32 H74 O11 Zr2 -","- C64 H148 O22 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0716","0.0635","","","0.1686","0.1774","","","","","","1.034","","","","has coordinates,has disorder","301776","2025-08-18","14:47:42",""
"1512909","9.644","0.005","13.548","0.007","18.337","0.009","82.959","0.007","77.981","0.008","71.51","0.007","2218","2","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(6) Zr2(ONc)(HONc)(OPRi)7","","","- C33 H71 O11 Zr2 -","- C33 H71 O11 Zr2 -","- C66 H142 O22 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.2225","0.1179","","","0.2126","0.2566","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512910","23.789","0.004","9.2954","0.0016","27.339","0.005","90","","115.287","0.003","90","","5466.2","1.7","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(8) Zr3(m-O)(OAc)3(ONep)7","","","- C41 H86 O14 Zr3 -","- C41 H86 O14 Zr3 -","- C164 H344 O56 Zr12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1251","0.0588","","","0.1299","0.1677","","","","","","0.978","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512911","10.158","0.012","10.195","0.012","11.147","0.013","86.68","0.03","88.4","0.02","84.5","0.03","1147","2","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(9)Zr2OPc2ONEP6","","","- C38 H82 O10 Zr2 -","- C38 H82 O10 Zr2 -","- C38 H82 O10 Zr2 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1715","0.0758","","","0.1653","0.214","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512914","15.051","0.008","15.642","0.009","25.761","0.015","95.09","0.011","93.18","0.011","117.329","0.01","5335","5","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(11) Zr5(O)3(ONc)6(ONep)8*(HONep)+0.5(Tol)","","","- C84.5 H170 O24 Zr5 -","- C81 H165 O24 Zr5 -","- C162 H330 O48 Zr10 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1238","0.0658","","","0.1491","0.1704","","","","","","0.986","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513336","20.679","0.005","8.042","0.002","14.162","0.005","90","","102.86","0.03","90","","2296.1","1.2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thalidomide; N-(2,6-dioxo-3-piperidyl)phalimide","rac-2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C104 H80 N16 O32 -","8","1","","Caira, M. R.; Botha, S. A.; Flanagan, D. R.","Polymorphism of N-(2,6-dioxo-3-piperidyl)pthalimide (thalidomide): Structural characterization of a second monoclinic racemic modification","Journal of Chemical Crystallography","1994","24","1","95","99","10.1007/BF01665353","","","","","","","0.051","","","0.051","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1514004","8.2579","0.0003","8.2579","0.0003","8.2579","0.0003","90","","90","","90","","563.13","0.04","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (0.96/2.04/4)","","- Li0.956 Mn2.044 O4 -","- Li0.956 Mn2.044 O4 -","- Li7.648 Mn16.352 O32 -","8","0.0416667","","Piszora, P.; Catlow, C. R. A.; Woodley, S. M.; Wolska, E.","Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides","Computers and Chemistry","2000","24","","609","613","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514005","8.1845","0.0003","8.1845","0.0003","8.1845","0.0003","90","","90","","90","","548.25","0.03","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (1.05/1.95/4)","","- Li1.049 Mn1.951 O4 -","- Li1.049 Mn1.951 O4 -","- Li8.392 Mn15.608 O32 -","8","0.0416667","","Piszora, P.; Catlow, C. R. A.; Woodley, S. M.; Wolska, E.","Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides","Computers and Chemistry","2000","24","","609","613","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514066","4.9166","0.0001","8.5065","0.0002","5.0117","0.0001","90","","109.376","0.002","90","","197.733","0.008","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dilithium Manganate(IV)","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li8 Mn4 O12 -","4","0.5","","Lee, Sanghyun; Choi, Seongil; Kim, Jiyeon; Sim, Hasung; Won, Choongjae; Lee, Seongsu; Kim, Shin; Hur, Namjung; Park, Je-Geun","Antiferromagnetic ordering in Li2 Mn O3 single crystals with a 2-dimensional honeycomb lattice","Journal of Physics: Condensed Matter","2012","24","45","456004-1","456004-9","","","","","","","0.0386","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514067","4.9167","0.0002","8.5069","0.0002","5.0099","0.0001","90","","109.373","0.002","90","","197.679","0.01","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dilithium Manganate(IV)","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li8 Mn4 O12 -","4","0.5","","Lee, Sanghyun; Choi, Seongil; Kim, Jiyeon; Sim, Hasung; Won, Choongjae; Lee, Seongsu; Kim, Shin; Hur, Namjung; Park, Je-Geun","Antiferromagnetic ordering in Li2 Mn O3 single crystals with a 2- dimensional honeycomb lattice","Journal of Physics: Condensed Matter","2012","24","45","456004-1","456004-9","","","","","","","0.0399","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1518187","10.774","0.002","10.774","0.002","10.774","0.002","90","","90","","90","","1250.6","0.4","","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- In2 S3 -","- In2.001 S3 -","- In16.008 S24 -","8","0.0416667","","Adenis, Claire; Olivier-Fourcade, Josette; Jumas, Jean-Claude; Philippot, Etienne","Etude structurale par spectroscopie Mossbauer et rayons X de spinelles lacunaires de type In2S3","Revue de Chimie Minerale","1987","24","","10","21","","","x-ray","0.71069","MoKα","","","0.053","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518188","7.791","0.004","20.124","0.006","10.478","0.003","90","","106.87","0.03","90","","1572.1","1.1","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Fe N3 O15 -","- C6 Fe N3 O14 -","- C24 Fe4 N12 O56 -","4","1","","Merrachi, El Houssine; Mentzen, Bernard F.; Chassagneux, Fernand; Bouix, Jean","Etude cristallochimique de trisoxalato-metallates (III) de cations monovalents. II. Cas de (NH4)3[Fe(C2O4)3],3H2O","Revue de Chimie Minerale","1987","24","","56","67","","","x-ray","0.71069","MoKα","","","0.0497","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518197","11.9864","0.0008","8.7215","0.0005","6.7593","0.0005","100.73","0.01","109.31","0.01","91.45","0.01","652.32","0.09","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Cs Na3 O4 Pb -","- Cs Na3 O4 Pb -","- Cs4 Na12 O16 Pb4 -","4","2","","Stoll, H.; Hoppe, R.","Ein neues oxoplumbat(IV): CsNa3[PbO4]","Revue de Chimie Minerale","1987","24","","96","115","","","x-ray","0.5594","AgKα","","","0.0888","","","0.0739","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518198","13.991","0.003","6.494","0.001","20.814","0.005","90","","125.24","0.02","90","","1544.5","0.7","","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- K5 Nb6 O34 P5 Zr2 -","- K4.94 Nb6 O34 P5 Zr2 -","- K9.88 Nb12 O68 P10 Zr4 -","2","0.5","","Deniard-Courant, Sylvie; Piffard, Yves; Tournoux, Michel","Structure cristalline de K5Nb6Zr2P5O34","Revue de Chimie Minerale","1987","24","","276","287","","","x-ray","0.71069","MoKα","","","0.034","","","0.039","","","","","","","","","","","has coordinates","176729","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",""
"1518201","17.835","0.004","9.634","0.002","16.025","0.004","90","","127.25","0.02","90","","2191.8","1","","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H34 Cl2 Li2 O11 -","- C12 Cl2 Li2 O11 -","- C48 Cl8 Li8 O44 -","4","1","","Chang, Tsing-Lien; Zhao, Ming; Hu, Ning-Hai; Jin, Zhong-Sheng","The crystal structure of 18-crown-6 complexes of hydrated lithium chloride and bromide","Revue de Chimie Minerale","1987","24","","382","390","","","x-ray","0.71069","MoKα","","","0.039","","","0.043","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518202","18.121","0.005","9.745","0.002","16.14","0.003","90","","126.74","0.01","90","","2284","0.9","","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H34 Br2 Li2 O11 -","- C12 Br2 Li2 O11 -","- C48 Br8 Li8 O44 -","4","1","","Chang, Tsing-Lien; Zhao, Ming; Hu, Ning-Hai; Jin, Zhong-Sheng","The crystal structure of 18-crown-6 complexes of hydrated lithium chloride and bromide","Revue de Chimie Minerale","1987","24","","382","390","","","x-ray","0.71069","MoKα","","","0.057","","","0.062","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518203","8.012","0.006","8.012","0.006","11.603","0.004","90","","90","","90","","744.8","0.8","","","293","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","","","- F22 Li Tl Zr5 -","- F22 Li Tl Zr5 -","- F44 Li2 Tl2 Zr10 -","2","0.125","","Avignant, D.; Caignol, E.; Chevalier, R.; Cousseins, J. C.","Structure cristalline du fluorure LiTlZr5F22","Revue de Chimie Minerale","1987","24","","391","400","","","x-ray","0.71069","MoKα","","","0.07","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518204","7.838","0.003","8.403","0.003","11.048","0.003","90","","110.57","0.04","90","","681.3","0.4","","","295","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cd Cs2 I4 -","- Cd Cs2 I4 -","- Cd2 Cs4 I8 -","2","0.5","","Touchard, V.; Louer, M.; Auffredic, J. P.; Louer, D.","Polymorphisme de l'iodure de cesium et de cadmium","Revue de Chimie Minerale","1987","24","","414","426","","","x-ray","0.71073","MoKα","","","0.059","","","0.07","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518205","10.9145","","8.5648","","14.9538","","90","","90","","90","","1397.89","","","","453","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cd Cs2 I4 -","- Cd Cs2 I4 -","- Cd4 Cs8 I16 -","4","0.5","","Touchard, V.; Louer, M.; Auffredic, J. P.; Louer, D.","Polymorphisme de l'iodure de cesium et de cadmium","Revue de Chimie Minerale","1987","24","","414","426","","powder diffraction","x-ray","1.5417","CuKα","","","","","","","","","13.27","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518206","7.929","0.003","19.842","0.006","10.64","0.003","90","","108.61","0.03","90","","1586.4","0.9","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cr O15 Rb3 -","- C6 Cr O14.83 Rb3.01 -","- C24 Cr4 O59.32 Rb12.04 -","4","1","","Merrachi, El Houssine; Mentzen, Bernard, F.; Chassagneux, Fernand","Etude cristallographique comparative de trisoxalato-metallates(III) de cations monovalents. III. Cas de Rb3[Cr(C2O4)3], 3H2O","Revue de Chimie Minerale","1987","24","","427","445","","","x-ray","0.71069","MoKα","","","0.091","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518207","8.6358","0.001","8.6358","0.001","7.1406","0.0008","90","","90","","90","","532.52","0.11","","","253","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- K O3 -","- K O3 -","- K8 O24 -","8","0.25","","Schnick, Wolfgang; Jansen, Martin","Preparation, crystal structure, and thermal behaviour of potassium ozonide","Revue de Chimie Minerale","1987","24","","446","456","","","x-ray","0.71069","MoKα","","","0.035","","","0.02","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518208","8.722","0.001","15.256","0.002","12.445","0.001","90","","94.13","0.01","90","","1651.7","0.3","","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H21 Cl4 Co N6 O2 Zn -","- C6 H21 Cl4 Co N6 O2 Zn -","- C24 H84 Cl16 Co4 N24 O8 Zn4 -","4","1","","Andjelkovic, K.; Herak, R.; Juranic, N.; Manojlovic-Muir, L. J.; Celap, M. B.","Synthesis, characterization and crystal structure of mer(dien)-syn(H, NO2)-(diethylenetriamine)-(ethylenediamine)nitrocobalt (III) tetrachlorozincate (II)","Revue de Chimie Minerale","1987","24","","457","469","","","x-ray","0.71069","MoKα","","","0.024","","","0.03","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518220","8.005","0.001","8.005","0.001","5.399","0.002","90","","90","","90","","345.97","0.14","","","293","","","","","","","","","5","I -4","I -4","82","","","","- Cu H4 Mo N S4 -","- Cu0.535 Mo0.465 N0.5 S2 -","- Cu2.14 Mo1.86 N2 S8 -","4","0.5","","Bensch, W.; Stauber-Reichmuth, G.; Reller, A.; Oswald, H. R.","Single crystal structure of NH4CuMoS4","Revue de Chimie Minerale","1987","24","","503","508","","","x-ray","0.71069","MoKα","","","0.031","","","0.036","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518221","6.239","0.005","6.239","0.005","25.27","0.01","90","","90","","120","","851.9","1","","","300","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ca Cs5 F15 Ni4 -","- Ca Cs5 F15 Ni4 -","- Ca2 Cs10 F30 Ni8 -","2","0.0833333","","Tressaud, Alain; Demortain, Genevieve; Bouree-Vigneron, Francoise; Darriet, Jacques","Substitutions cationiques et interactions magnetiques dans les perovskites hexagonales fluorees. IV. Les systemes CsNi(1-x)CaxF3 et Cs(1-x)RbxNi(1-x)CaxF3 avec 0<=x<=1","Revue de Chimie Minerale","1987","24","","621","630","","","neutron","1.066","","","","","","","","","","4.2","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518231","13.339","0.009","18.27","0.01","4.986","0.002","93","0.1","89.9","0.1","85.3","0.1","1209.3","1.2","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Bi2 Cr4 O15 -","- Bi2 Cr4 O15 -","- Bi8 Cr16 O60 -","4","2","","Gerault, Y.; Riou, A.; Cudennec, Y.; Bonnin, A.","Structure de Bi2(CrO4)2Cr2O7","Revue de Chimie Minerale","1987","24","","631","640","","","x-ray","0.71069","MoKα","","","0.085","","","0.098","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1522415","14.88","","14.88","","5.837","","90","","90","","90","","1292.4","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Mn4 Sn7 Tm4 -","- Mn4 Sn7 Tm4 -","- Mn16 Sn28 Tm16 -","4","0.125","","Malaman, B.; Venturini, G.; Roques, B.","Structure cristalline de Tm4 Mn4 Sn7, le premiere stannure isotype de Zr4 Co4 Ge7","Materials Research Bulletin","1989","24","","231","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522558","6.0893","","9.5694","","4.6666","","90","","90","","90","","271.927","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al Nb Ti2 -","- Al Nb Ti2 -","- Al4 Nb4 Ti8 -","4","0.25","","Mozer, B.; Bendersky, L. A.; Grant, R. R.; Boettinger, B. J.","Neutron powder diffraction study of the orthorhombic Ti~2~AlNb phase","Scripta Metallurgica et Materialia","1990","24","12","2363","2368","10.1016/0956-716X(90)90094-W","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522566","7.707","","7.707","","7.707","","90","","90","","90","","457.779","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mn4 (Pr Tb)","","- Mn4 Pr Tb -","- Mn4 Pr Tb -","- Mn16 Pr4 Tb4 -","4","0.0208333","","Nair, C.; Oesterreicher, H.","Structural and high temperature magnetic studies of the systems Pr Mn2 - Gd Mn2 and Pr Mn2 - Tb Mn2","Journal of the Less-Common Metals","1971","24","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522631","7.741","","7.741","","7.741","","90","","90","","90","","463.865","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Gd0.76 Pr0.24) Mn2","","- Gd0.76 Mn2 Pr0.24 -","- Gd0.76 Mn2 Pr0.24 -","- Gd6.08 Mn16 Pr1.92 -","8","0.0416667","","Oesterreicher, H.; Nair, C.","Structural and high-temperature magnetic studies of the systems Pr Mn2 - Gd Mn2 and Pr Mn2 - Tb Mn2","Journal of the Less-Common Metals","1971","24","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522914","9.197","","9.197","","4.271","","90","","90","","120","","312.862","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Gd Ni3 Sn2 -","- Gd Ni3 Sn2 -","- Gd3 Ni9 Sn6 -","3","0.125","","Skolozdra, R.V.; Komarovskaya, L.P.; Aksel'rud, L.G.","Magnetic susceptibility of R Ni Sn2 and R Ni3 Sn2 (R= rare-earth element) compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1490","1493","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522920","3.563","","3.563","","5.618","","90","","90","","120","","61.765","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Lu Tb)","","- Lu Tb -","- Lu Tb -","- Lu Tb -","1","0.0416667","","Smidt, F.A.jr.; Daane, A.H.","Electrical resistitvity of rare-earth alloys","Journal of Physics and Chemistry of Solids","1963","24","","361","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522947","6.189","","6.189","","6.189","","90","","90","","90","","237.062","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ir Sn Ti -","- Ir Sn Ti -","- Ir4 Sn4 Ti4 -","4","0.0208333","","Stadnyk, Yu.V.; Mikhailiv, L.A.; Skolozdra, R.V.; Kuprina, V.V.","Properties and crystal structure of M Ir S compounds (M= Zi, Zr, Hf)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1196","1198","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522948","7.32","","7.32","","3.661","","90","","90","","120","","169.884","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Ir Sn Zr -","- Ir Sn Zr -","- Ir3 Sn3 Zr3 -","3","0.25","","Stadnyk, Yu.V.; Kuprina, V.V.; Mikhailiv, L.A.; Skolozdra, R.V.","Properties and crystal structure of M Ir S compounds (M= Zi, Zr, Hf)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1397","1399","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523050","8.836","","8.836","","13.052","","90","","90","","90","","1019.03","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Tl4 Sn Te3","","- Sn Te3 Tl4 -","- Sn Te3 Tl4 -","- Sn4 Te12 Tl16 -","4","0.125","","Voroshilov, Yu.V.; Gurzan, M.I.; Kish, Z.Z.; Lada, L.V.","Phase equilibria in the Tl-Pb-Te system and crystal structures of Tl4 B(IV) X3 and Tl9 B(V) X5 compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1479","1484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523094","5.411","","5.411","","5.411","","90","","90","","90","","158.428","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ni Zn -","- Ni Zn -","- Ni4 Zn4 -","4","0.0416667","","Wu, P.; Kershaw, R.; Dwight, K.; Wold, A.","Growth and characterization of nickel-doped Zn S single crystals","Materials Research Bulletin","1989","24","","49","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523531","8.417","","8.417","","8.298","","90","","90","","120","","509.118","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe17 Tm2 -","- Fe17 Tm2 -","- Fe34 Tm4 -","2","0.0833333","","Elemans, J.B.A.A.; Buschow, K.H.J.","The magnetic structure of Tm2 Fe17","Physica Status Solidi, Sectio A: Applied Research","1974","24","","125","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523620","3.6092","","3.6092","","5.6966","","90","","90","","120","","64.264","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Tb -","- Tb -","- Tb2 -","2","0.0833333","","Finkel', V.A.; Smirnov, Yu.N.; Vorob'ev, V.V.","Crystal structure of terbium at 120-300 K","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","1967","24","","21","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523757","3.652","","3.652","","5.347","","90","","90","","120","","61.759","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ni.95 Se","","- Ni0.95 Se -","- Ni0.95 Se -","- Ni1.9 Se2 -","2","0.0833333","","Gronvold, F.","Heat capacities and thermodynamic properties of the Ni1-x Se phase from 298-1050 K","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","1036","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523927","18.1128","","18.1128","","18.1128","","90","","90","","90","","5942.33","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Pt3 Zn10 -","- Pt3.04453 Zn10.0221 -","- Pt91.336 Zn300.664 -","30","0.3125","","Johansson, A.; Westman, S.","Determination of the structure of cubic gamma-Pt,Zn: a phase of gamma brass type with an 1.8 nm superstructure","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3471","3479","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523928","6.805","","4.416","","5.492","","90","","90","","90","","165.039","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pt Yb -","- Pt Yb -","- Pt4 Yb4 -","4","0.5","","Johnson, Q.; Bedford, R.G.; Catalano, E.","The crystal structure of Yb Pt","Journal of the Less-Common Metals","1971","24","","335","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523983","2.8664","","2.8664","","2.8664","","90","","90","","90","","23.551","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Cr0.2 Fe0.8)","","- Cr0.2 Fe0.8 -","- Cr0.2 Fe0.8 -","- Cr0.4 Fe1.6 -","2","0.0208333","","Andersen, A.G.H.; Jette, E.R.","X-ray investigation of the Fe-Cr-Si phase diagram","Transactions of the American Society for Metals","1936","24","","375","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","144617","2020-10-21","18:00:00",""
"1524018","4.942","","4.942","","3.935","","90","","90","","120","","83.23","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cu0.25 In0.75)2 Eu","","- Cu0.5 Eu In1.5 -","- Cu0.5 Eu In1.5 -","- Cu0.5 Eu In1.5 -","1","0.0416667","","Baranyak, V.M.; Dmytrakh, O.V.; Kal'ichak, Ya.M.; Zavalii, P.Yu.","Ternary intermetallic compounds with Al B2-type structure in La(Ce, Pr, Nd, Sm, Eu) - Ni(Cu) - In systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","739","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524019","4.821","","4.821","","4.025","","90","","90","","120","","81.016","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cu0.5 In1.5) La","","- Cu0.5 In1.5 La -","- Cu0.5 In1.5 La -","- Cu0.5 In1.5 La -","1","0.0416667","","Baranyak, V.M.; Dmytrakh, O.V.; Kal'ichak, Ya.M.; Zavalii, P.Yu.","Ternary intermetallic compounds with Al B2-type structure in La(Ce, Pr, Nd, Sm, Eu) - Ni(Cu) - In systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","873","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524020","4.784","","4.784","","3.8","","90","","90","","120","","75.318","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cu0.25 In0.75)2 Nd","","- Cu0.5 In1.5 Nd -","- Cu0.5 In1.5 Nd -","- Cu0.5 In1.5 Nd -","1","0.0416667","","Baranyak, V.M.; Dmytrakh, O.V.; Kal'ichak, Ya.M.; Zavalii, P.Yu.","Ternary intermetallic compounds with Al B2-type structure in La(Ce, Pr, Nd, Sm, Eu) - Ni(Cu) - In systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","873","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524021","4.789","","4.789","","3.812","","90","","90","","120","","75.713","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cu0.25 In0.75)2 Pr","","- Cu0.5 In1.5 Pr -","- Cu0.5 In1.5 Pr -","- Cu0.5 In1.5 Pr -","1","0.0416667","","Baranyak, V.M.; Dmytrakh, O.V.; Kal'ichak, Ya.M.; Zavalii, P.Yu.","Ternary intermetallic compounds with AlB2-type structure in La(Ce, Pr, Nd, Sm, Eu) - Ni(Cu) - In systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","873","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524022","4.704","","4.704","","3.647","","90","","90","","120","","69.888","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cu0.25 In0.75)2 Sm","","- Cu0.5 In1.5 Sm -","- Cu0.5 In1.5 Sm -","- Cu0.5 In1.5 Sm -","1","0.0416667","","Baranyak, V.M.; Dmytrakh, O.V.; Kal'ichak, Ya.M.; Zavalii, P.Yu.","Ternary intermetallic compounds with AlB2-type structure in La(Ce, Pr, Nd, Sm, Eu) - Ni(Cu) - In systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","873","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524023","4.96","","4.96","","3.933","","90","","90","","120","","83.795","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Eu (In0.75 Ni0.25)2","","- Eu In1.5 Ni0.5 -","- Eu In1.5 Ni0.5 -","- Eu In1.5 Ni0.5 -","1","0.0416667","","Baranyak, V.M.; Dmytrakh, O.V.; Kal'ichak, Ya.M.; Zavalii, P.Yu.","Ternary intermetallic compounds with Al B2-type structure in La (Ce, Pr, Nd, Sm, Eu) - Ni (Cu) - In systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","739","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524024","4.818","","4.818","","3.899","","90","","90","","120","","78.382","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce (Cu0.5 In1.5)","","- Ce Cu0.5 In1.5 -","- Ce Cu0.5 In1.5 -","- Ce Cu0.5 In1.5 -","1","0.0416667","","Baranyak, V.M.; Dmytrakh, O.V.; Zavalii, P.Yu.; Kal'ichak, Ya.M.","Ternary intermetallic compounds with Al B2-type structure in La (Ce, Pr, Nd, Sm, Eu) - Ni (Cu) - In systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","873","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524025","4.834","","4.834","","3.928","","90","","90","","120","","79.491","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce (In1.5 Ni0.5)","","- Ce In1.5 Ni0.5 -","- Ce In1.5 Ni0.5 -","- Ce In1.5 Ni0.5 -","1","0.0416667","","Baranyak, V.M.; Kal'ichak, Ya.M.; Dmytrakh, O.V.; Zavalii, P.Yu.","Ternary intermetallic compounds with Al B2-type structure in La (Ce, Pr, Nd, Sm, Eu) - Ni (Cu) - In systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","873","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524131","8.55","","8.55","","4.799","","90","","90","","90","","350.819","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","(Fe0.9 Ti0.1)12 Gd","","- Fe10.8 Gd Ti1.2 -","- Fe10.8 Gd Ti1.2 -","- Fe21.6 Gd2 Ti2.4 -","2","0.0625","","Buschow, K.H.J.; Thiel, R.C.; Brouha, M.; Smit, H.H.A.; de Mooij, D.B.","Magnetic properties of ternary Fe-rich rare earth intermetallic compounds","IEEE Transactions on Magnetics","1988","24","","1611","1616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524305","4.999","","4.999","","4.0015","","90","","90","","120","","86.6","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Co5 Th -","- Co5 Th -","- Co5 Th -","1","0.0416667","","Elemans, J.B.A.A.; Buschow, K.H.J.","Crystal and magnetic structure of intermetallic compounds of the type Th (Cox Fe1-x)5","Physica Status Solidi, Sectio A: Applied Research","1974","24","","393","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524306","5.109","","5.109","","4.0453","","90","","90","","120","","91.444","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co Fe4) Th","","- Co Fe4 Th -","- Co Fe4 Th -","- Co Fe4 Th -","1","0.0416667","","Elemans, J.B.A.A.; Buschow, K.H.J.","Crystal and magnetic structure of intermetallic compounds of the type Th (Cox Fe1-x)5","Physica Status Solidi, Sectio A: Applied Research","1974","24","","393","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524339","15.921","","11.965","","6.741","","91.07","","94.35","","89.99","","1280.2","","","","","","","","","","","","","8","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Fe.42 Mn.12 Al.13 Ca2 Mn4 Be4 (P O4)6 (O H)4 (H2 O)6","","- Al0.13 Be4 Ca2 Fe0.42 H16 Mn4.12 O34 P6 -","- Al0.13 Be4 Ca2 Fe0.42 Mn4.12 O34 P6 -","- Al0.26 Be8 Ca4 Fe0.84 Mn8.24 O68 P12 -","2","","","Fanfani, L.; Zanazzi, P.F.; Zanzari, A.R.","The crystal structure of a triclinic roscherite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1977","24","","169","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524419","12.343","","12.343","","15.463","","90","","90","","90","","2355.78","","","","","","","","","","","","Vesuvius volcano, Bay of Naples, Italy","9","I 4/m","-I 4","87","","Na1.76 Ca6 (O H) (H2 O)0.44 (Si O4)0.25 (P O4)0.25 (C O3)0.46 Cl0.04 (Al4 Si6 O23)","Sarcolite","- C0.46 H1.88 Al4 Ca6 Cl0.04 Na1.76 O27.82 P0.25 Si6.25 -","- C0.46 Al4 Ca6 Cl0.04 Na1.76 O27.82 P0.25 Si6.25 -","- C1.84 Al16 Ca24 Cl0.16 Na7.04 O111.28 P Si25 -","4","0.25","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of sarcolite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1977","24","","1","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:48",""
"1524604","13.062","","12.31","","13.06","","90","","120","","90","","1818.62","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K2 Ba (N O2)4","","- Ba K2 N2.5 O5 -","- Ba K2 N2.5 O5 -","- Ba8 K16 N20 O40 -","8","1","","Iwata, Y.; Koyano, N.; Shibuya, I.; Fukui, S.","X-ray and neutron diffraction studies on the structure of ferroelastic K2 Ba (N O2)4","Kyoto University, Research Reactor Institute: Annual Report","1991","24","","1","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524814","9.7878","","9.7878","","9.7878","","90","","90","","90","","937.681","","","","","","","","","","","","","2","P -4 3 m","P -4 2 3","215","","","","- Cd5 Ni -","- Cd5 Ni -","- Cd40 Ni8 -","8","0.333333","","Ljung, H.; Westman, S.","X-ray determination of the structure of the primitive cubic gamma Ni, Cd phase","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","611","617","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525039","5.87","","5.87","","2.955","","90","","90","","90","","101.82","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Cd Te -","- Cd Te -","- Cd2 Te2 -","2","0.0625","","Owen, N.B.; Smith, P.L.; Martin, J.E.; Wright, A.J.","X-ray diffraction at ultra-high pressure","Journal of Physics and Chemistry of Solids","1963","24","","1519","1524","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525198","5.209","","9.053","","20.053","","90","","95.74","","90","","940.899","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","K (Al0.62 Li0.38)2 Li0.92 (Si3.58 Al0.42 O10) (O H)0.485 F1.515","","- Al1.66 F1.515 H0.485 K Li1.68 O10.485 Si3.58 -","- Al1.66 F1.514 K Li1.68 O10.486 Si3.58 -","- Al6.64 F6.056 K4 Li6.72 O41.944 Si14.32 -","4","0.5","","Sartori, F.","The crystal structure of a 2M1 lepidolite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1977","24","","23","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525250","7.619","","7.619","","7.619","","90","","90","","90","","442.277","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Ce0.5 La0.5) Ru2","","- Ce0.5 La0.5 Ru2 -","- Ce0.5 La0.5 Ru2 -","- Ce4 La4 Ru16 -","8","0.0416667","","Shelton, R.N.; Lawson, A.C.jr.; Baberschke, K.","Superconducting transition temperature, its pressure dependence and structural transformation in (La, Ce) Ru2 alloys","Solid State Communications","1977","24","","465","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525305","7.753","","7.753","","7.869","","90","","90","","90","","472.998","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Ce Ni4 Sn2 -","- Ce Ni4 Sn2 -","- Ce4 Ni16 Sn8 -","4","0.25","","Skolozdra, R.V.; Yasnitskaya, I.V.; Komarovskaya, L.P.; Aksel'rud, L.G.","Crystal structure and magnetic susceptibility of the compounds R Ni Sn (R= rare earth metals)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","65","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525315","3.601","","3.601","","5.686","","90","","90","","120","","63.853","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Er0.55 Gd0.45)","","- Er0.55 Gd0.45 -","- Er0.55 Gd0.45 -","- Er1.1 Gd0.9 -","2","0.0833333","","Smidt, F.A.jr.; Daane, A.H.","Electrical resistivity of rare-earth alloys","Journal of Physics and Chemistry of Solids","1963","24","","361","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","146244","2020-10-21","18:00:00",""
"1525422","13.529","","10.501","","4.218","","90","","90","","90","","599.243","","","","","","","","","","","","","4","P n c m","-P 2 2bc","53","","K3 Mn (C N)6","","- C6 K2 Mn N6 -","- C6 K2 Mn N6 -","- C12 K4 Mn2 N12 -","2","0.25","","Vannerberg, N.G.","The OD-structure of K3 Mn (C N)6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","2335","2348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525460","6.108","","6.108","","6.108","","90","","90","","90","","227.875","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Eu Sr) (S Se)","","- Eu S Se Sr -","- Eu S Se Sr -","- Eu2 S2 Se2 Sr2 -","2","0.0104167","","Westerholt, K.; Bach, H.","Magnetic ordering in Eux Sr1-x Sy Se1-y","Journal of Magnetism and Magnetic Materials","1981","24","","191","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527060","5.147","","5.147","","4.224","","90","","90","","120","","96.909","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ca Pd5 -","- Ca Pd5 -","- Ca Pd5 -","1","0.0416667","","Mejbar, J.; Notin, M.","A new Ca Cu~5~-structure in the (Ca,Pd) system","Scripta Metallurgica et Materialia","1990","24","9","1697","1700","10.1016/0956-716X(90)90531-K","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527084","6.814","","6.814","","12.073","","90","","90","","120","","485.456","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Cr2 Te3 -","- Cr2 Te3 -","- Cr8 Te12 -","4","0.333333","","Andresen, A.F.","The magnetic structure of Cr2 Te3, Cr3 Te4, and Cr5 Te6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3495","3509","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527085","6.857","","3.954","","12.272","","90","","91.17","","90","","332.656","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","(Cr5 Te6)1.333","","- Cr6.665 Te7.998 -","- Cr6.66 Te8 -","- Cr6.66 Te8 -","1","0.125","","Andresen, A.F.","The magnetic structure of Cr2 Te3, Cr3 Te4 and Cr5 Te6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3495","3509","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527086","6.208","","3.541","","11.281","","90","","91.807","","90","","247.862","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- Fe3 Se4 -","- Fe3 Se4 -","- Fe6 Se8 -","2","0.25","","Andresen, A.F.; van Laar, R.","The magnetic structure of Fe3 Se4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","2435","2439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527115","22.581","","13.931","","10.001","","90","","90","","90","","3146.07","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cr4 (O H)6 (N H3)12 Br6 (H2 O)2","","- Br6 Cr4 H46 N12 O8 -","- Br6 Cr4 H46 N12 O8 -","- Br24 Cr16 H184 N48 O32 -","4","0.5","","Bang, E.; Narasimha, T.","The crystal structure of di-mue-hydroxotetrakis-mue-hydroxobis(tetraminechromium III))bis(diamminechromium(III))bromide dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","275","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527348","8.104","","3.757","","7.433","","90","","90","","90","","226.311","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Cu Cl2 (H2 O)2","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Engberg, A.","An X-Ray refinement of the crystal structure of copper(II) chloride dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3510","3526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527349","5.6173","","3.3909","","6.1534","","90","","90","","90","","117.208","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pd Si -","- Pd Si -","- Pd4 Si4 -","4","0.5","","Engstroem, I.","Note on the crystal structures of Ru5 Si3 and Pd Si","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","1466","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527466","7.245","","10.32","","7.458","","90","","90","","90","","557.623","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","Na2 Ni Fe F7","","- F7 Fe Na2 Ni -","- F7 Fe Na2 Ni -","- F28 Fe4 Na8 Ni4 -","4","0.5","","Haegele, R.; Babel, D.; Verscharen, W.; Dance, J.M.; Tressaud, A.","Die Verfeinerung der Weberitstruktur der Verbindung Na2 Ni Fe F7","Journal of Solid State Chemistry","1978","24","","77","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527593","6.65","","7.01","","9.03","","92.3","","109.4","","112.9","","358.736","","","","","","","","","","","","","5","P -1","-P 1","2","","Rb (Mn Cl3) (H2 O)2","","- Cl3 H4 Mn O2 Rb -","- Cl3 H4 Mn O2 Rb -","- Cl6 H8 Mn2 O4 Rb2 -","2","1","","Jensen, S.J.","Neutron diffraction study of beta-Tb Mn Cl3, (H2 O)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3422","3424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527601","8.518","","5.998","","7.536","","90","","111.122","","90","","359.154","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na2 (Cr3 O8 (O H))","","- Cr3 H Na2 O9 -","- Cr3 Na2 O9 -","- Cr6 Na4 O18 -","2","0.5","","Jonsson, O.","The crystal structure of Na2 Cr3 O8 O H and K2 Cr3 O8 O H","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3627","3644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527602","9.267","","6.077","","7.813","","90","","114.082","","90","","401.697","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2 Cr3 O8 O H","","- Cr3 H K2 O9 -","- Cr3 K2 O9 -","- Cr6 K4 O18 -","2","0.5","","Jonsson, O.","The crystal structure of Na2 Cr3 O8 O H and K2 Cr3 O8 O H","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3627","3644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527716","16.521","","15.956","","6.793","","90","","90","","90","","1790.7","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N H4)3 (Mo O (O2) F4) F","","- F5 H12 Mo N3 O3 -","- F5 H12 Mo N3 O3 -","- F40 H96 Mo8 N24 O24 -","8","1","","Larking, I.; Stomberg, G.","Studies on peroxomolybdates VII. The crystal structure of triammonium fluoride oxoperoxotetrafluoromolybdate(VI), (N H4)3 F Mo O O2 F4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","2043","2054","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527723","5.26","","4.56","","3.27","","90","","90","","90","","78.433","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","In O (O H)","","- H In O2 -","- H In O2 -","- H2 In2 O4 -","2","0.5","","Lehmann, M.S.; Poulsen, F.R.; Larsen, F.K.; Rasmussen, S.E.; Norlund Christensen, A.","Neutron and X-ray crystallographic studies on indium oxide hydroxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","1662","1670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527734","9.3792","","8.9114","","4.9043","","90","","90","","90","","409.91","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Li (Mo O4 As O2)","","- As Li Mo O6 -","- As Li Mo O6 -","- As4 Li4 Mo4 O24 -","4","1","","Linnros, B.","The crystal structure of Li Mo O2 As O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3711","3722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527757","7.137","","5.665","","9.767","","90","","90","","90","","394.891","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu2 (Si O4)","","- Eu2 O4 Si -","- Eu2 O4 Si -","- Eu8 O16 Si4 -","4","0.5","","Marchand, R.; l'Haridon, P.; Laurent, Y.","Structure cristalline de Eu2(II) Si O4 beta","Journal of Solid State Chemistry","1978","24","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527885","5.778","","11.615","","5.54","","107.62","","75.75","","94.75","","343.438","","","","","","","","","","","","","5","P -1","-P 1","2","","Na4 Sn2 Ge4 O12 (O H)4","","- Ge4 H4 Na4 O16 Sn2 -","- Ge4 H4 Na4 O16 Sn2 -","- Ge4 H4 Na4 O16 Sn2 -","1","0.5","","Norlund Christensen, A.","The crystal structure of Na4 Sn2 Ge4 O12 (O H)4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","1287","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527890","11.21","","10.97","","9.75","","116.7","","83.85","","114.08","","973.655","","","","","","","","","","","","","4","P -1","-P 1","2","","Mg (P O2 Cl2)2 (P O Cl3)2","","- Cl10 Mg O6 P4 -","- Cl10 Mg O6 P4 -","- Cl20 Mg2 O12 P8 -","2","1","","Nyborg, J.; Danielsen, J.","Direct determination of the crystal structure of bis(di chlorophosphate)bis(phosphoryl chloride) magnesium: Mg (P O2 Cl2)2 (P O Cl3)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527904","5.56","","5.56","","5.56","","90","","90","","90","","171.88","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Eu0.5 Li0.5) S","","- Eu0.5 Li0.5 S -","- Eu0.5 Li0.5 S -","- Eu2 Li2 S4 -","4","0.0208333","","Palazzi, M.; Bretey, E.","Etude de la conductivite electrique des phases de la solution solide Eu(2+)2x Eu(3+)1-x Li1-x S2, x=0.06-1","Materials Research Bulletin","1989","24","","695","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527954","16.1","","7.425","","5.748","","90","","93.2","","90","","686.059","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cs (Sn Cl3)","","- Cl3 Cs Sn -","- Cl3 Cs Sn -","- Cl12 Cs4 Sn4 -","4","1","","Poulsen, F.R.; Rasmussen, S.E.","Crystal structure and phase transition of cesium trichlorostannate(II)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","150","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528207","17.926","","3.631","","9.396","","90","","90","","90","","611.579","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","V4 O9","","- O9 V4 -","- O9 V4 -","- O36 V16 -","4","0.5","","Wilhelmi, K.A.; Waltersson, K.","On the crystal structure of a new vanadium oxide, V4 O9","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3409","3411","","","","","","","","","","","","","","","","","","","","","","has coordinates","150190","2020-10-21","18:00:00",""
"1528301","14.088","","8.1378","","28.28","","90","","109.27","","90","","3060.52","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","K Er3 F10","","- Er3 F10 K -","- Er3 F10 K -","- Er48 F160 K16 -","16","4","","Aleonard, S.; Guitel, J.C.; Roux, M.T.","Structure cristalline de la phase beta-K Er3 F10","Journal of Solid State Chemistry","1978","24","","331","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528353","4.001","","32.936","","11.291","","90","","90","","90","","1487.89","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","La2 Fe1.76 S5","","- Fe1.76 La2 S5 -","- Fe1.765 La2 S5 -","- Fe14.12 La16 S40 -","8","2","","Besrest, F.; Collin, G.","Structure de La2 Fe1.76 S5","Journal of Solid State Chemistry","1978","24","","301","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","150477","2020-10-21","18:00:00",""
"1528420","9.885","","9.885","","10.805","","90","","90","","120","","914.342","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","La8 Ru4 O21","","- La8 O21 Ru4 -","- La8 O21 Ru4 -","- La16 O42 Ru8 -","2","0.166667","","Cotton, F.A.; Rice, C.E.","La8 Ru4 O21: A mixed-valence ternary ruthenium oxide of a new hexagonal structure type","Journal of Solid State Chemistry","1978","24","","359","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","150614","2020-10-21","18:00:00",""
"1528455","12.614","","7.585","","7.195","","90","","90.91","","90","","688.311","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K2 P2 O5 F2","","- F2 K2 O5 P2 -","- F2 K2 O5 P2 -","- F8 K8 O20 P8 -","4","0.5","","Durand, J.; Falius, H.; Galigne, J.L.; le Cot, L.","Sur un compose oxyfluore du P(V) a anion polycondense: K2 P2 O5 F2","Journal of Solid State Chemistry","1978","24","","345","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","150703","2020-10-21","18:00:00",""
"1528945","18.6838","","18.6838","","13.3829","","90","","90","","90","","4671.76","","","","","","","","","","","","","6","I -4","I -4","82","","(Mn12 O12 ((C F2 Cl) C O O)16 (H2 O)4) (H2 O)4","","- C32 H16 Cl16 F32 Mn12 O52 -","- C32 H16 Cl16 F32 Mn12 O52 -","- C64 H32 Cl32 F64 Mn24 O104 -","2","0.25","","Tsai Huilieu; Shiao Hongann; Lee Genehsiang; Wur Chingshuei; Jwo Tunyih; Yang Cheni","Single-molecule magnets: [Mn12 O12 (O2 C C F2 Cl)16 (H2 O)4](0/-)","Polyhedron","2005","24","","2205","2214","","","","","","","","","","","","","","","","","","","","","","has coordinates","151797","2020-10-21","18:00:00",""
"1528952","7.488","","7.488","","18.257","","90","","90","","120","","886.526","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Na2 Mn Fe F7","","- F7 Fe Mn Na2 -","- F7 Fe Mn Na2 -","- F42 Fe6 Mn6 Na12 -","6","1","","Verscharen, W.; Babel, D.","Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine trigonale Weberit-Variante","Journal of Solid State Chemistry","1978","24","","405","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528953","7.492","","7.492","","18.261","","90","","90","","120","","887.668","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Na2 Mn V F7","","- F7 Mn Na2 V -","- F7 Mn Na2 V -","- F42 Mn6 Na12 V6 -","6","1","","Verscharen, W.; Babel, D.","Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine trigonale Weberit-Variante","Journal of Solid State Chemistry","1978","24","","405","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528961","7.5228","","7.5248","","7.5199","","90","","90","","90","","425.683","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Cu1.03 Ta2 O6","","- Cu1.03 O6 Ta2 -","- Cu1.03 O6 Ta2 -","- Cu4.12 O24 Ta8 -","4","0.5","","Vincent, H.; Bochu, B.; Aubert, J.J.; Joubert, J.C.; Marezio, M.","Structure cristalline de Cu Ta2 O6","Journal of Solid State Chemistry","1978","24","","245","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","151843","2020-10-21","18:00:00",""
"1529001","28.666","","7.225","","7.776","","90","","105.41","","90","","1552.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N H4)2 Mn3 (H2 O)4 (Mo (C N)7)2 (H2 O)5","","- C8 Mn3 Mo2 N10 O9 -","- C8 Mn3 Mo2 N10 O9 -","- C32 Mn12 Mo8 N40 O36 -","4","0.5","","Willemin, S.; Le Goff, X.F.; Larionova, J.; Bolvin, H.; Donnadieu, B.; Ruiz, E.; Guerin, C.; Henner, B.","Cation templation of Mn(2+)/[Mo (C N)7](4-) system: formation of pseudo-dimorphs (N H4)2 Mn3 (H2 O)4 [Mo (C N)7]2 . nH2 O (n = 4,5)","Polyhedron","2005","24","","1033","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","151896","2020-10-21","18:00:00",""
"1529526","14","","6.2883","","11.466","","90","","90","","90","","1009.42","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb Te F5","","- F5 Rb Te -","- F5 Rb Te -","- F40 Rb8 Te8 -","8","1","","Abriel, W.","The Crystal Structure of Rb Te F5","Materials Research Bulletin","1989","24","","1515","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529531","10.761","","10.761","","10.761","","90","","90","","90","","1246.11","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","In16.85 Sn3.72 S32","","- In16.85 S32 Sn3.72 -","- In16.856 S32 Sn3.728 -","- In16.856 S32 Sn3.728 -","1","0.00520833","","Adenis, C.; Olivier-Fourcade, J.; Philippot, E.; Jumas, J.C.","Etude structurale par spectroscopie Moessbauer et rayons X de spinelles lacunaires de type In2 S3","Revue de Chimie Minerale","1987","24","","10","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","153971","2020-10-21","18:00:00",""
"1529532","10.687","","10.687","","10.687","","90","","90","","90","","1220.58","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","In15.40 Sn4.5 S32","","- In15.4 S32 Sn4.5 -","- In15.408 S32 Sn4.496 -","- In15.408 S32 Sn4.496 -","1","0.00520833","","Adenis, C.; Jumas, J.C.; Olivier-Fourcade, J.; Philippot, E.","Etude structurale par spectroscopie Moessbauer et rayons X de spinelles lacunaires de type In2 S3","Revue de Chimie Minerale","1987","24","","10","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","153972","2020-10-21","18:00:00",""
"1529533","10.718","","10.718","","10.718","","90","","90","","90","","1231.24","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","In17.12 Sn3.16 S32","","- In17.12 S32 Sn3.16 -","- In17.128 S32 Sn3.168 -","- In17.128 S32 Sn3.168 -","1","0.00520833","","Adenis, C.; Olivier-Fourcade, J.; Philippot, E.; Jumas, J.C.","Etude structurale par spectroscopie Moessbauer et rayons X de spinelles lacunaires de type In2 S3","Revue de Chimie Minerale","1987","24","","10","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","153973","2020-10-21","18:00:00",""
"1529573","3.9058","","3.9058","","8.779","","90","","90","","90","","133.926","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Nd Bi5).5 O4 Cl","","- Bi2.5 Cl Nd0.5 O4 -","- Bi2.499 Cl Nd0.501 O4 -","- Bi2.499 Cl Nd0.501 O4 -","1","0.0625","","Aurivillius, B.","Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3 O4 Br and Bi12 O17 Cl2","Chemica Scripta","1984","24","","125","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529574","5.7051","","5.6935","","18.949","","90","","90","","90","","615.501","","","","","","","","","","","","","3","P n a n","-P 2n 2bc","52","","","","- Bi3 Br O4 -","- Bi3 Br O4 -","- Bi12 Br4 O16 -","4","0.5","","Aurivillius, B.","Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3 O4 Br and Bi12 O17 Cl2","Chemica Scripta","1984","24","","125","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529704","5.997","","11.109","","9.753","","90","","90","","99.33","","641.156","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","Sr Ti F6 (H2 O)2","","- F6 H4 O2 Sr Ti -","- F6 H4 O2 Sr Ti -","- F24 H16 O8 Sr4 Ti4 -","4","1","","Bukvetskii, B.V.; Simonov, V.I.; Simonov, M.A.; Muradyan, L.A.","Refinement of the crystal structure of strontium hexafluorotitanate dihydrate Sr Ti F6 (H2 O)2","Kristallografiya","1979","24","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1529726","5.297","","5.297","","10.363","","90","","90","","90","","290.767","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","Zn (Ga2 S4)","","- Ga2 S4 Zn -","- Ga2 S4 Zn -","- Ga4 S8 Zn2 -","2","0.125","","Carpenter, G.B.; Wold, A.; Wu, P.; Gao, Y.M.","Redetermination of crystal structure of zinc thiogallate","Materials Research Bulletin","1989","24","","1077","1082","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529745","4.598","","4.598","","7.514","","90","","90","","120","","137.575","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ag I -","- Ag I -","- Ag2 I2 -","2","0.166667","","Cava, R.J.; Reidinger, F.; Wuensch, B.J.","Single-crystal neutron-diffraction study of Ag I","Solid State Communications","1977","24","","411","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529785","3.9489","","3.9489","","12.1417","","90","","90","","90","","189.335","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Nd2 Cu0.86 Li0.14 O3.9","","- Cu0.86 Li0.14 Nd2 O3.9 -","- Cu0.86 Li0.14 Nd2 O3.9 -","- Cu1.72 Li0.28 Nd4 O7.8 -","2","0.0625","","Currie, D.B.; Weller, M.T.","Structure and Electronic Properties of Lithium Doped Ln2 Cu O4 ( Ln = Nd, Gd)","Materials Research Bulletin","1989","24","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","154413","2020-10-21","18:00:00",""
"1529845","10.161","","5.9187","","7.1885","","90","","90","","90","","432.316","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Te F5)","","- F5 Na Te -","- F5 Na Te -","- F20 Na4 Te4 -","4","0.5","","du Bois, A.; Abriel, W.","The Crystal Structure of Na Te F5","Materials Research Bulletin","1989","24","","633","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529921","10.832","","12.491","","3.495","","90","","90","","90","","472.882","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Y2 Cu2 O5","","- Cu2 O5 Y2 -","- Cu2 O5 Y2 -","- Cu8 O20 Y8 -","4","1","","Famery, R.; Queyroux, F.","Crystal Structure Refinement of Y2 Cu2 O5 from Single Crystal X-Ray Diffraction Data","Materials Research Bulletin","1989","24","","275","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529947","10.4593","","5.2314","","14.4597","","90","","90","","90","","791.188","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Na1.8 (Ga0.2 Zn0.8) (Si O4)","","- Ga0.2 Na1.8 O4 Si Zn0.8 -","- Ga0.2 Na1.8 O4 Si Zn0.8 -","- Ga1.6 Na14.4 O32 Si8 Zn6.4 -","8","2","","Frostaeng, S.; Werner, P.E.","Rietveld Profile Refinement of the Sodium Ion Conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4","Materials Research Bulletin","1989","24","","833","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529948","10.6366","","5.3289","","14.7905","","90","","90","","90","","838.346","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Na1.8 (Ga0.2 Zn0.8) (Ge O4)","","- Ga0.2 Ge Na1.8 O4 Zn0.8 -","- Ga0.2 Ge Na1.8 O4 Zn0.8 -","- Ga1.6 Ge8 Na14.4 O32 Zn6.4 -","8","2","","Frostaeng, S.; Werner, P.E.","Rietveld Profile Refinement of the Sodium Ion Conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4","Materials Research Bulletin","1989","24","","833","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529949","9.866","","4.911","","13.888","","90","","90","","90","","672.9","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Na2 Be (Si O4)","","- Be Na2 O4 Si -","- Be Na2 O4 Si -","- Be8 Na16 O32 Si8 -","8","2","","Frostaeng, S.; Werner, P.E.","Rietveld profile refinement of the sodium ion conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4","Materials Research Bulletin","1989","24","","833","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529963","3.794","","3.794","","12.084","","90","","90","","90","","173.942","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Ca (Tl0.3 Pb0.7) Sr1.82 Cu2 O7","","- Ca Cu2 O7 Pb0.7 Sr1.82 Tl0.3 -","- Ca Cu2 O7 Pb0.7 Sr1.86 Tl0.3 -","- Ca Cu2 O7 Pb0.7 Sr1.86 Tl0.3 -","1","0.0625","","Ganguli, A.K.; Nanjundaswamy, K.S.; Rao, C.N.R.; Sequeira, A.; Rajagopal, H.","A neutron diffraction study of the superconductor, Tl.5 Pb.5 Ca Sr2 Cu2 Oy","Materials Research Bulletin","1989","24","","883","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530019","9.724","","3.984","","5.792","","90","","109.04","","90","","212.109","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Li5 Sb O5","","- Li5 O5 Sb -","- Li5 O5 Sb -","- Li10 O10 Sb2 -","2","0.25","","Greaves, C.; Katib, S.M.A.","The Structures of Li5 Bi O5 and Li5 Sb O5 From Powder Neutron Diffraction","Materials Research Bulletin","1989","24","","973","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530020","9.964","","4.148","","5.9409","","90","","109.49","","90","","231.472","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Li5 Bi O5","","- Bi Li5 O5 -","- Bi Li5 O5 -","- Bi2 Li10 O10 -","2","0.5","","Greaves, C.; Katib, S.M.A.","The Structures of Li5 Bi O5 and Li5 Sb O5 From Powder Neutron Diffraction","Materials Research Bulletin","1989","24","","973","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530031","10.305","","10.305","","10.305","","90","","90","","90","","1094.32","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","W O3 (H2 O).5","","- H O3.5 W -","- O3.5 W -","- O56 W16 -","16","0.0833333","","Guenter, J.R.; Schmalle, H.W.; Amberg, M.","Direct Synthesis and Single Crystal Structure Determination of Cubic Pyrochlore-type Tungsten Trioxide Hemihydrate W O3 (H2 O).5","Materials Research Bulletin","1989","24","","289","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530063","4.6496","","5.6181","","5.0058","","90","","90","","90","","130.761","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Fe (Nb O4)","","- Fe Nb O4 -","- Fe Nb O4 -","- Fe2 Nb2 O8 -","2","0.25","","Harrison, W.T.A.; Cheetham, A.K.","Structural and Magnetic Properties of Fe Nb O4-II","Materials Research Bulletin","1989","24","","523","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530152","6.2","","6.2","","5.9","","90","","90","","120","","196.411","","","","","","","","","","","","","2","P 6/m","-P 6","175","","Ta1.52 O3.12","","- O3.12 Ta1.52 -","- O3.12 Ta1.52 -","- O3.12 Ta1.52 -","1","0.0833333","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Atomic structure of tantalum oxide with hexagonal lattice in thin layers","Kristallografiya","1979","24","","939","944","","","","","","","","","","","","","","","","","","","","","","has coordinates","155136","2020-10-21","18:00:00",""
"1530153","5.1","","5.1","","5.1","","90","","90","","90","","132.651","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Ta2 O2.2","","- O2.2 Ta2 -","- O2.2 Ta2 -","- O4.4 Ta4 -","2","0.25","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Structures with fcc cells in thin films of oxides of Ta and Nb","Kristallografiya","1979","24","","1254","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","155137","2020-10-21","18:00:00",""
"1530154","5.11","","5.11","","5.11","","90","","90","","90","","133.433","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Nb O.76","","- Nb O0.76 -","- Nb O0.76 -","- Nb4 O3.04 -","4","0.0208333","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Structures with fcc cells in thin films of oxides of Ta and Nb","Kristallografiya","1979","24","","1254","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530169","5.329","","19.396","","12.804","","90","","90","","91.05","","1323.22","","","","","","","","","","","","","4","B 1 1 2/b","-B 2b","15","","Ba Nd2 (Mo O4)4","","- Ba Mo4 Nd2 O16 -","- Ba Mo4 Nd2 O16 -","- Ba4 Mo16 Nd8 O64 -","4","0.5","","Kiseleva, I.I.; Sirota, M.I.; Ozerov, R.P.; Balakireva, T.P.; Maier, A.A.","Barium-lanthanide double molybdates Ba Ln2 (Mo O4)4. II. Crystal structure of Ba Nd2 (Mo O4)4","Kristallografiya","1979","24","","1277","1279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530177","9.957","","9.891","","7.807","","105.55","","106.16","","94.13","","702.47","","","","","","","","","","","","","4","P -1","-P 1","2","","K4 Zn (W O4)3","","- K4 O12 W3 Zn -","- K4 O12 W3 Zn -","- K8 O24 W6 Zn2 -","2","1","","Klevtsova, R.F.; Ivannikova, N.V.; Klevtsov, P.V.","Crystal structure and polymorphism of potassium-zinc tungstate K4 Zn (W O4)3","Kristallografiya","1979","24","","257","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530178","7.467","","8.03","","7.089","","114.47","","115.37","","56.23","","310.369","","","","","","","","","","","","","4","P -1","-P 1","2","","Li Pr (W O4)2","","- Li O8 Pr W2 -","- Li O8 Pr W2 -","- Li2 O16 Pr2 W4 -","2","1","","Klevtsova, R.F.; Kharchenko, L.Yu.; Borisov, S.V.; Efremov, V.A.; Klevtsov, P.V.","Triclinic modification of lithium-rare earth tungstates Li Ln (W O4)2, where Ln is La-Sm","Kristallografiya","1979","24","","446","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530179","16.37","","11.35","","5.02","","90","","103.5","","90","","906.943","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 Zr (Mo O4)3","","- Mo3 Na2 O12 Zr -","- Mo3 Na2 O12 Zr -","- Mo12 Na8 O48 Zr4 -","4","0.5","","Klevtsova, R.F.; Glinskaya, L.A.; Gaponenko, L.A.; Zolotova, E.S.; Podberezskaya, N.V.; Klevtsov, P.V.","Synthesis and crystal structure of double molybdates of sodium and zirconium","Kristallografiya","1979","24","","751","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530180","11.03","","11.03","","11.68","","90","","90","","90","","1421","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Na4 Zr (Mo O4)4","","- Mo4 Na4 O16 Zr -","- Mo4 Na4 O16 Zr -","- Mo16 Na16 O64 Zr4 -","4","0.25","","Klevtsova, R.F.; Gaponenko, L.A.; Zolotova, E.S.; Glinskaya, L.A.; Podberezskaya, N.V.; Klevtsov, P.V.","Synthesis and crystal structure of double molybdates of sodium and zirconium","Kristallografiya","1979","24","","751","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530181","5.092","","21.338","","17.885","","90","","90","","90","","1943.26","","","","","","","","","","","","","4","P 21 m n","P -2ab 2ab","31","","Li2 Zr (Mo O4)3","","- Li2 Mo3 O12 Zr -","- Li2 Mo3 O12 Zr -","- Li16 Mo24 O96 Zr8 -","8","2","","Klevtsova, R.F.; Glinskaya, L.A.; Antonova, A.A.","Crystal structure of lithium-zirconium molybdate","Kristallografiya","1979","24","","1043","1047","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530191","7.155","","8.434","","6.888","","90","","90","","61.35","","364.767","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Zn (H Se O3)2 (H2 O)2","","- H6 O8 Se2 Zn -","- H6 O8 Se2 Zn -","- H12 O16 Se4 Zn2 -","2","0.5","","Kondrashev, Yu.D.; Nozik, Yu.Z.; Shibanova, T.A.; Fykin, L.E.","Neutron-diffraction investigation of the crystal structure of acid zinc selenite dihydrate Zn (H Se O3)2 (H2 O)2","Kristallografiya","1979","24","","586","589","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530214","9.118","","5.294","","8.738","","90","","90","","89.53","","421.775","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Li Rb (S O4)","","- Li O4 Rb S -","- Li O4 Rb S -","- Li4 O16 Rb4 S4 -","4","1","","Kruglik, A.I.; Misjul', S.V.; Simonov, M.A.","Crystal structure of double lithium-rubidium sulfate","Kristallografiya","1979","24","","582","585","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530216","16.476","","24.581","","9.996","","90","","90","","105.79","","3895.58","","","","","","","","","","","","","15","B 1 1 2/b","-B 2b","15","","Na1.13 K0.125 (Ba Sr Pb)0.0835 Ca0.75 Fe4.42 Mn1.42 (Li Mg)0.25 Zn0.42 Al0.5 (P6 O23.82 F1.16)","","- Al0.5 Ba0.0835 Ca0.75 F1.16 Fe4.42 K0.125 Li0.25 Mg0.25 Mn1.42 Na1.13 O23.82 P6 Pb0.0835 Sr0.0835 Zn0.42 -","- Al0.5 Ba0.0835 Ca0.75 F1.16 Fe4.42 K0.125 Li0.25 Mg0.25 Mn1.42 Na1.125 O23.82 P6 Pb0.0835 Sr0.0835 Zn0.42 -","- Al4 Ba0.668 Ca6 F9.28 Fe35.36 K Li2 Mg2 Mn11.36 Na9 O190.56 P48 Pb0.668 Sr0.668 Zn3.36 -","8","1","","Krutik, V.M.; Pushcharovskii, D.Yu.; Pobedimskaya, E.A.; Belov, N.V.","Crystal structure of arrojadite","Kristallografiya","1979","24","","743","750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530255","5.507","","5.507","","5.507","","90","","90","","90","","167.011","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.925 U.075 F2.15","","- Ca0.925 F2.15 U0.075 -","- Ca0.925 F2.16 U0.075 -","- Ca3.7 F8.64 U0.3 -","4","0.0208333","","Laval, J.P.; Mikou, A.; Frit, B.; Pannetier, J.; Roult, G.","Ordre a courte distance dans les solutions solides de type fluorine excedentaire en anions Ca1-x M(IV)x F2+2x (M(IV)= U, Zr)","Revue de Chimie Minerale","1987","24","","165","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","155323","2020-10-21","18:00:00",""
"1530256","5.522","","5.522","","5.522","","90","","90","","90","","168.379","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.9 U.1 F2.2","","- Ca0.9 F2.2 U0.1 -","- Ca0.9 F2.16 U0.1 -","- Ca3.6 F8.64 U0.4 -","4","0.0208333","","Laval, J.P.; Mikou, A.; Frit, B.; Roult, G.; Pannetier, J.","Ordre a courte distance dans les solutions solides de type fluorine excedentaire en anions Ca1-x M(IV)x F2+2x (M(IV)= U, Zr)","Revue de Chimie Minerale","1987","24","","165","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","155324","2020-10-21","18:00:00",""
"1530257","5.541","","5.541","","5.541","","90","","90","","90","","170.124","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.865 U.135 F2.27","","- Ca0.865 F2.27 U0.135 -","- Ca0.865 F2.3 U0.135 -","- Ca3.46 F9.2 U0.54 -","4","0.0208333","","Laval, J.P.; Mikou, A.; Pannetier, J.; Roult, G.; Frit, B.","Ordre a courte distance dans les solutions solides de type fluorine excedentaire en anions Ca1-x M(IV)x F2+2x (M(IV)= U, Zr)","Revue de Chimie Minerale","1987","24","","165","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","155325","2020-10-21","18:00:00",""
"1530258","5.555","","5.555","","5.555","","90","","90","","90","","171.416","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.84 U.16 F2.32","","- Ca0.84 F2.32 U0.16 -","- Ca0.84 F2.36 U0.16 -","- Ca3.36 F9.44 U0.64 -","4","0.0208333","","Laval, J.P.; Pannetier, J.; Frit, B.; Mikou, A.; Roult, G.","Ordre a courte distance dans les solutions solides de type fluorine excedentaire en anions Ca1-x M(IV)x F2+2x (M(IV)= U, Zr)","Revue de Chimie Minerale","1987","24","","165","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","155326","2020-10-21","18:00:00",""
"1530259","5.575","","5.575","","5.575","","90","","90","","90","","173.274","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.81 U.19 F2.38","","- Ca0.81 F2.38 U0.19 -","- Ca0.81 F2.4 U0.19 -","- Ca3.24 F9.6 U0.76 -","4","0.0208333","","Laval, J.P.; Roult, G.; Mikou, A.; Frit, B.; Pannetier, J.","Ordre a courte distance dans les solutions solides de type fluorine excedentaire en anions Ca1-x M(IV)x F2+2x (M(IV)= U, Zr)","Revue de Chimie Minerale","1987","24","","165","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","155327","2020-10-21","18:00:00",""
"1530515","12.6156","","6.8501","","11.9571","","90","","108.938","","90","","977.377","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Ba3 Ta2 S8","","- Ba3 S8 Ta2 -","- Ba3 S8 Ta2 -","- Ba9 S24 Ta6 -","3","0.75","","Onoda, M.; Saeki, M.","New Barium Tantalum Sulphides Part 2. Ba3 Ta2 S8","Materials Research Bulletin","1989","24","","625","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530516","9.0556","","6.854","","12.304","","90","","90","","90","","763.673","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba2 (Ti S4)","","- Ba2 S4 Ti -","- Ba2 S4 Ti -","- Ba8 S16 Ti4 -","4","0.5","","Onoda, M.; Saeki, M.","Powder X-Ray Diffraction Data and Crystal Structures of Ternary Sulphides, Ba2 Ti S4, Ba3 Ti S5 and Tetragonal Ba Cu2 S2","Materials Research Bulletin","1989","24","","1337","1345","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530517","8.4646","","8.4646","","13.7668","","90","","90","","90","","986.384","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ba3 (Ti S5)","","- Ba3 S5 Ti -","- Ba3 S5 Ti -","- Ba12 S20 Ti4 -","4","0.125","","Onoda, M.; Saeki, M.","Powder X-Ray Diffraction Data and Crystal Structures of Ternary Sulphides, Ba2 Ti S4, Ba3 Ti S5 and Tetragonal Ba Cu2 S2","Materials Research Bulletin","1989","24","","1337","1345","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530629","4.265","","4.265","","9.0149","","90","","90","","90","","163.983","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Li5.52 Zr2.62 O8","","- Li4 O8 Zr2.62 -","- Li4 O8 Zr2.62 -","- Li4 O8 Zr2.62 -","1","0.03125","","Quintana, P.; Howie, R.A.; Leal, J.; West, A.R.","Li2 Zr O3: A New Polymorph with the alpha- Li Fe O2 Structure","Materials Research Bulletin","1989","24","","1385","1389","","","","","","","","","","","","","","","","","","","","","","has coordinates","155764","2020-10-21","18:00:00",""
"1530649","8.4854","","8.4854","","21.7994","","90","","90","","120","","1359.31","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na Ti2 (P O4)3","","- Na O12 P3 Ti2 -","- Na O12 P3 Ti2 -","- Na6 O72 P18 Ti12 -","6","0.166667","","Rodrigo, J.L.; Carrasco, M.P.; Alamo, J.","Thermal Expansion of Na Ti2 (P O4)3 Studied by Rietveld Method From X-Ray Diffraction Data","Materials Research Bulletin","1989","24","","611","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530673","6.883","","6.883","","41.83","","90","","90","","120","","1716.22","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Ba16.5 Ta9 S39","","- Ba16.5 S39 Ta9 -","- Ba16.5 S39.006 Ta9 -","- Ba16.5 S39.006 Ta9 -","1","0.0277778","","Saeki, M.; Onoda, M.","New Barium Tantalum sulphides. Part IV Ba16.5 Ta9 S39","Materials Research Bulletin","1989","24","","1491","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","155812","2020-10-21","18:00:00",""
"1530753","24.90599","","24.90599","","24.90599","","90","","90","","90","","15449.4","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","Na2.5 Nd2.19 (Al5.04 Si6.96 O24) (H2 O)6.48","","- Al5.04 H12.96 Na2.5 Nd2.19 O30.48 Si6.96 -","- Al5.04 Na2.5 Nd2.19 O30.48 Si6.96 -","- Al80.64 Na40 Nd35.04 O487.68 Si111.36 -","16","0.0833333","","Shepelev, Yu.F.; Kozlova, N.I.; Smolin, Yu.I.; Butikova, I.K.","Ion exchange of Na for Nd in hydrated zeolite NaX","Kristallografiya","1979","24","","469","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530754","24.946","","24.946","","24.946","","90","","90","","90","","15524","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","Na1.25 Nd1.25 (Al5 Si7 O24) (H2 O)5.2","","- Al5 H10.4 Na1.25 Nd1.25 O29.2 Si7 -","- Al5.04 Na1.25 Nd1.25 O29.19 Si6.96 -","- Al80.64 Na20 Nd20 O467.04 Si111.36 -","16","0.0833333","","Shepelev, Yu.F.; Butikova, I.K.; Smolin, Yu.I.; Kozlova, N.I.","Ion exchange of Na for Nd in hydrated zeolite NaX","Kristallografiya","1979","24","","469","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530794","24.894","","24.894","","24.894","","90","","90","","90","","15427.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na5.0625 (Al5.0625 Si6.9375) O24 (H2 O)9.07","","- Al5.0628 Na3.86 O33.07 Si6.9372 -","- Al5.0628 Na3.86 O33.07 Si6.9372 -","- Al81.0048 Na61.76 O529.12 Si110.995 -","16","0.0833333","","Smolin, Yu.I.; Shepelev, Yu.F.; Butikova, I.K.; Samulevich, N.N.; Zhdanov, S.P.","The crystal structure of hydrated zeolite NaX at t=20 and -165 deg C","Kristallografiya","1979","24","","461","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","156007","2020-10-21","18:00:00",""
"1530795","24.89","","24.89","","24.89","","90","","90","","90","","15419.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na3.42 (Al3.42 Si4.58) O16 (H2 O)14.27","","- Al3.42 Na3.42 O22.2667 Si4.58 -","- Al3.42 Na3.42 O22.2667 Si4.58 -","- Al82.08 Na82.08 O534.4 Si109.92 -","24","0.125","","Smolin, Yu.I.; Shepelev, Yu.F.; Butikova, I.K.; Zhdanov, S.P.; Samulevich, N.N.","The crystal structure of hydrated zeolite NaX at t=20 and -165 deg C","Kristallografiya","1979","24","","461","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","156008","2020-10-21","18:00:00",""
"1530939","4.59","","9.41","","11.59","","90","","90","","90","","500.594","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Ba Br2 (H2 O)","","- Ba Br2 H2 O -","- Ba Br2 H2 O -","- Ba4 Br8 H8 O4 -","4","0.5","","Vainshtein, B.K.; Pinsker, Z.G.","The electron diffraction analysis of Ba Br2 H2 O","Zhurnal Fizicheskoi Khimii","1950","24","","432","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530969","7.4717","","17.2176","","5.5975","","90","","90","","90","","720.089","","","","","","","","","","","","","2","A b m 2","A 2 -2b","39","","Ta3 S1.8","","- S1.8 Ta3 -","- S1.8 Ta3 -","- S14.4 Ta24 -","8","","","Wada, H.; Onoda, M.","On the Preparation and Structure of the Compound Ta3 S1.8","Materials Research Bulletin","1989","24","","191","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","156211","2020-10-21","18:00:00",""
"1531029","15.98","","4.26","","13.26","","90","","104.5","","90","","873.92","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Ba (S C N)2 (H2 O)2","","- C2 H4 Ba N2 O2 S2 -","- C2 H4 Ba N2 O2 S2 -","- C8 H16 Ba4 N8 O8 S8 -","4","0.5","","Zvonkova, Z.V.; Zhdanov, G.S.","The crystal structure of rhodonides. 3. The x-ray analysis of the crystals Ba (S C N)2 (H2 O)2","Zhurnal Fizicheskoi Khimii","1950","24","","1345","1349","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532810","7.5966","","7.68989","","2.8926","","90","","90","","90","","168.977","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","(Al1.52 Cr0.48) Al2.56 Si1.44 O9.87","","- Al4.08 Cr0.48 O9.87 Si1.44 -","- Al4.088 Cr0.48 O9.868 Si1.432 -","- Al4.088 Cr0.48 O9.868 Si1.432 -","1","0.125","","Li, J.F.; Li, L.; Stott, F.H.","Crystallographical analysis of surface layers of refractory ceramics formed using combined flame spray and simultaneous laser treatment","Journal of the European Ceramic Society","2004","24","","3129","3138","","","","","","","","","","","","","","","","","","","","","","has coordinates","158797","2020-10-21","18:00:00",""
"1532831","18.344","","13.3034","","7.4497","","90","","90","","90","","1818.01","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Zn5 (N H3 (C H2)4 N H3) (P O4)4","","- C4 H14 N2 O16 P4 Zn5 -","- C4 N2 O16 P4 Zn5 -","- C16 N8 O64 P16 Zn20 -","4","0.5","","Xing Yan; Fu Yunlong; Shi Zhan; Hua Jia; Zhang Ping; Cui Yanjie; Pang Wenqin","Hydrothermal synthesis and characterization of an open framework zincophosphate with Zn4 O4 tetrameric clusters","Gaodeng Xuexiao Huaxue Xuebao","2003","24","","377","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","158822","2020-10-21","18:00:00",""
"1533680","4.6069","","4.6069","","2.9917","","90","","90","","90","","63.494","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Ni0.1 Ti0.7 Sb0.2) O2","","- Ni0.1 O2 Sb0.2 Ti0.7 -","- Ni0.1 O2 Sb0.2 Ti0.7 -","- Ni0.2 O4 Sb0.4 Ti1.4 -","2","0.125","","Sorli, S.; Calbo, J.; Tena, M.A.; Llusar, M.; Badenes, J.A.; Monros, G.","Structure and colour of Nix A1-3x B2x O2 (A = Ti, Sn; B = Sb, Nb) solid solutions","Journal of the European Ceramic Society","2004","24","","2425","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","159946","2020-10-21","18:00:00",""
"1533684","4.6327","","4.6327","","2.9828","","90","","90","","90","","64.017","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Ni0.1 Ti0.7 Nb0.2) O2","","- Nb0.2 Ni0.1 O2 Ti0.7 -","- Nb0.2 Ni0.1 O2 Ti0.7 -","- Nb0.4 Ni0.2 O4 Ti1.4 -","2","0.125","","Sorli, S.; Llusar, M.; Tena, M.A.; Monros, G.; Calbo, J.; Badenes, J.A.","Structure and colour of Nix A1-3x B2x O2 (A = Ti, Sn; B = Sb, Nb) solid solutions","Journal of the European Ceramic Society","2004","24","","2425","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","159951","2020-10-21","18:00:00",""
"1533687","4.7248","","4.7248","","3.1737","","90","","90","","90","","70.849","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Ni0.1 Sn0.7 Sb0.2) O2","","- Ni0.1 O2 Sb0.2 Sn0.7 -","- Ni0.1 O2 Sb0.2 Sn0.7 -","- Ni0.2 O4 Sb0.4 Sn1.4 -","2","0.125","","Sorli, S.; Tena, M.A.; Llusar, M.; Calbo, J.; Badenes, J.A.; Monros, G.","Structure and colour of Nix A1-3x B2x O2 (A = Ti, Sn; B = Sb, Nb) solid solutions","Journal of the European Ceramic Society","2004","24","","2425","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","159954","2020-10-21","18:00:00",""
"1533689","3.9184","","3.9086","","7.9081","","90","","90","","90","","121.116","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.64 Li0.08) (Nb2 O6)","","- La0.64 Li0.08 Nb2 O6 -","- La0.64 Li0.08 Nb2 O6 -","- La0.64 Li0.08 Nb2 O6 -","1","0.125","","Belous, A.; Kovalenko, L.; Gavrilenko, O.; Pashkova, E.; V'yunov, O.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159956","2020-10-21","18:00:00",""
"1533691","3.906","","3.907","","7.8785","","90","","90","","90","","120.232","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.56 Li0.32) (Nb2 O6)","","- La0.56 Li0.32 Nb2 O6 -","- La0.56 Li0.32 Nb2 O6 -","- La0.56 Li0.32 Nb2 O6 -","1","0.125","","Belous, A.; Kovalenko, L.; Pashkova, E.; Gavrilenko, O.; V'yunov, O.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159958","2020-10-21","18:00:00",""
"1533693","4.7341","","4.7341","","3.1791","","90","","90","","90","","71.249","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Ni0.1 Sn0.7 Nb0.2) O2","","- Nb0.2 Ni0.1 O2 Sn0.7 -","- Nb0.2 Ni0.1 O2 Sn0.7 -","- Nb0.4 Ni0.2 O4 Sn1.4 -","2","0.125","","Sorli, S.; Badenes, J.A.; Tena, M.A.; Calbo, J.; Llusar, M.; Monros, G.","Structure and colour of Nix A1-3x B2x O2 (A = Ti, Sn; B = Sb, Nb) solid solutions","Journal of the European Ceramic Society","2004","24","","2425","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","159960","2020-10-21","18:00:00",""
"1533695","3.9002","","3.9005","","7.8521","","90","","90","","90","","119.452","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.5 Li0.5) (Nb2 O6)","","- La0.5 Li0.5 Nb2 O6 -","- La0.5 Li0.5 Nb2 O6 -","- La0.5 Li0.5 Nb2 O6 -","1","0.125","","Belous, A.; Pashkova, E.; Gavrilenko, O.; V'yunov, O.; Kovalenko, L.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159962","2020-10-21","18:00:00",""
"1533698","3.8948","","3.9112","","7.7936","","90","","90","","90","","118.723","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.46 Li0.54) Li0.08 (Nb2 O6)","","- La0.46 Li0.62 Nb2 O6 -","- La0.46 Li0.62 Nb2 O6 -","- La0.46 Li0.62 Nb2 O6 -","1","0.125","","Belous, A.; Pashkova, E.; Gavrilenko, O.; V'yunov, O.; Kovalenko, L.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159966","2020-10-21","18:00:00",""
"1533702","3.8943","","3.9","","7.794","","90","","90","","90","","118.373","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.42 Li0.58) Li0.16 (Nb2 O6)","","- La0.42 Li0.74 Nb2 O6 -","- La0.42 Li0.74 Nb2 O6 -","- La0.42 Li0.74 Nb2 O6 -","1","0.125","","Belous, A.; Pashkova, E.; V'yunov, O.; Gavrilenko, O.; Kovalenko, L.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159971","2020-10-21","18:00:00",""
"1533775","11.0526","","11.0526","","17.1161","","90","","90","","120","","1810.77","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sm2 Ca2 (Mn O7)","","- Ca2 Mn O7 Sm2 -","- Ca2 Mn O7.00005 Sm2 -","- Ca24 Mn12 O84.0006 Sm24 -","12","0.666667","","Bie Lijian; Li Guobao; Liao Fuhui; Lin Jianhua","Structure variation and phase relationship of the hexagonal perovskite system La2 Ca2 Mn O7 - Sm2 Ca2 Mn O7","Gaodeng Xuexiao Huaxue Xuebao","2003","24","","753","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533900","24.76","","24.76","","24.76","","90","","90","","90","","15179.3","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na64 Al54 Si138 O384 Te5","","- Al54 Na64 O384 Si138 Te5 -","- Al53.76 Na64.32 O384 Si138.24 Te5.024 -","- Al53.76 Na64.32 O384 Si138.24 Te5.024 -","1","0.00520833","","Olson, D. H.; Mikovsky, R. J.; Dempsey, E.; Shipman, G. F.","Tellurium-loaded zeolites. III. The structure of Te/Na X","Journal of Catalysis","1972","24","1","161","169","10.1016/0021-9517(72)90020-6","","","","","","","","","","","","","","","","","","","","","has coordinates","174859","2020-10-21","18:00:00",""
"1534191","5.653","","10.708","","16.799","","90","","90","","90","","1016.88","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K (Ta5 O13)","","- K O13 Ta5 -","- K O13 Ta5 -","- K4 O52 Ta20 -","4","0.5","","Awadalla, A.A.; Gatehouse, B.M.","Crystal structure of some niobium and tantalum oxides. IV. The structure of K Ta5 O13 and its relationship to the alpha Pb O2 structure","Journal of Solid State Chemistry","1978","24","","183","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534367","9.2","","9.2","","5.13","","90","","90","","120","","376.031","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Na2 Ti F6","","- F6 Na2 Ti -","- F6 Na2 Ti -","- F18 Na6 Ti3 -","3","0.25","","Cipriani, C.","Ricerche strutturistiche e cristallochimiche sul fluotitanato di sodi","Periodico di Mineralogia","1955","24","","361","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535571","4.9254","","4.9254","","12.4477","","90","","90","","120","","261.519","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Al F3 -","- Al F3 -","- Al6 F18 -","6","0.333333","","Hoppe, R.; Kissel, D.","Zur Kenntnis von Al F3 und In F3","Journal of Fluorine Chemistry","1984","24","","327","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535574","5.4103","","5.4103","","14.3775","","90","","90","","120","","364.466","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","In F3","","- F3 In -","- F3 In -","- F18 In6 -","6","0.166667","","Hoppe, R.; Kissel, D.","Zur Kenntnis von Al F3 und In F3","Journal of Fluorine Chemistry","1984","24","","327","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535699","13.1402","","19.0642","","17.5666","","90","","90.274","","90","","4400.51","","","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","Cs4 K3 Na3 (Cd4 Cl2 (As W9 O34)2) (H2 O)20","","- As2 Cd4 Cl2 Cs4 H40 K3 Na3 O88 W18 -","- As2 Cd4 Cl2 Cs4 K3 Na3 O88 W18 -","- As4 Cd8 Cl4 Cs8 K6 Na6 O176 W36 -","2","0.5","","Hussain, F.; Bi, L.H.; Rauwald, U.; Reicke, M.; Kortz, U.","Structure and Solution Properties of the Cadmium(II)-Substituted Tungstoarsenate [Cd4 Cl2 (B-alpha-As W9 O34)2](12-)","Polyhedron","2005","24","","847","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536083","6.535","","6.535","","6.535","","90","","90","","90","","279.085","","","","","","","","","","","","","2","P 43 3 2","P 4acd 2ab 3","212","","Sr Si2","","- Si2 Sr -","- Si2 Sr -","- Si8 Sr4 -","4","0.166667","","Evers, J.","Transformation of three-dimensional three-connected silicon nets in Sr Si2","Journal of Solid State Chemistry","1978","24","","199","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536242","8.125","","8.125","","8.86","","90","","90","","90","","584.898","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","(Pb Cl2) (Pb (C O3))","","- C Cl2 O3 Pb2 -","- C Cl2 O3 Pb2 -","- C4 Cl8 O12 Pb8 -","4","0.25","","Oftedal, I.","On the crystal structure of phosgenite Pb2 Cl2 C O3 and the synthetic compounds Pb2 Cl2 C O3, Pb2 Br2 C O3, Pb2 (Br, Cl)2 C O3","Norsk Geologisk Tidsskrift","1945","24","","79","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536604","18.4852","","21.1362","","26.1679","","90","","92.98","","90","","10210.2","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cs6.66 H0.34 (Si ((Nb O2)3 W9 O37)) (H2 O)7","","- Cs6.66 H14.34 Nb3 O50 Si W9 -","- Cs6.6605 Nb3 O50 Si W9 -","- Cs53.284 Nb24 O400 Si8 W72 -","8","1","","Kim Gyu-Shik; Zeng Huadong; Hill, C.L.","X-ray structure of Keggin-type peroxo polyoxometalate A-alpha-(Si (Nb O2)3 W9 O37)7-","Bulletin of the Korean Chemical Society","2003","24","","1005","1008","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537540","8.497","","8.497","","8.497","","90","","90","","90","","613.475","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Ca U S2","","- Ca S2 U -","- Ca1.0005 S2 U1.0005 -","- Ca8.004 S16 U8.004 -","8","0.166667","","Komac, M.; Golic, L.; Kolar, D.; Brcic, B.S.","Phase relationships and crystal chemistry in the systems U S - Ca S, U S - Sr S and U S - Ba S","Journal of the Less-Common Metals","1971","24","","121","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537672","5.159","","5.159","","5.159","","90","","90","","90","","137.308","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Th N","","- N Th -","- N Th -","- N4 Th4 -","4","0.0208333","","Aronson, S.; Ingraham, A.","Characteristic temperatures and entropies of some refractory thorium compounds","Journal of Nuclear Materials","1967","24","","74","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537699","11.42","","4.19","","4.46","","90","","90","","90","","213.41","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn Se","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.5","","Avilov, A.S.; Imamov, R.M.; Navasardyan, S.N.","Structure of thin films of Sn S and Sn Se","Kristallografiya","1979","24","","874","875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537702","7.412","","9.011","","9.741","","90","","90","","90","","650.597","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ba (V O3)2 H2 O","","- Ba H2 O7 V2 -","- Ba O7 V2 -","- Ba4 O28 V8 -","4","1","","Avtamonova, N.V.; Trunov, V.K.; Zhuravlev, V.D.","Die Kristallstruktur von Ba (V O3)2 H2 O.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1172","1175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537778","6.46","","6.46","","6.46","","90","","90","","90","","269.586","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0416667","","Delves, R.T.; Lewis, B.","Zinc blende type Hg Te - Mn Te solid solutions","Journal of Physics and Chemistry of Solids","1963","24","","549","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538167","5.7332","","5.7332","","5.7332","","90","","90","","90","","188.448","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr S -","- Pr S -","- Pr4 S4 -","4","0.0208333","","Golubkov, A.V.; Prokof'ev, A.V.; Sergeeva, V.M.","Growth and properties of single crystals of metal-like praseodymium chalcogenides","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1988","24","","1779","1781","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538170","6.3172","","6.3172","","6.3172","","90","","90","","90","","252.101","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr Te -","- Pr Te -","- Pr4 Te4 -","4","0.0208333","","Golubkov, A.V.; Prokof'ev, A.V.; Sergeeva, V.M.","Growth and properties of single crystals of metal-like praseodymium chalcogenides","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1988","24","","1779","1781","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538241","5.076","","7.955","","16.898","","90","","96.96","","90","","677.306","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cs2 Ga H3 (P2 O7)2","","- Cs2 Ga H3 O14 P4 -","- Cs2 Ga H3 O14 P4 -","- Cs4 Ga2 H6 O28 P8 -","2","0.5","","Gruntze, I.; Maksimova, S.I.; Chibiskova, N.T.; Palkina, K.K.; Chudinova, N.N.","Die Kristallstruktur von Cs2 Ga H3 (P2 O7)2.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","264","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538634","10.396","","10.396","","10.396","","90","","90","","90","","1123.57","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","(Pb.917 Nb.083)4 (P O4)3","","- Nb0.332 O12 P3 Pb3.668 -","- Nb0.332 O12 P3 Pb3.668 -","- Nb1.328 O48 P12 Pb14.672 -","4","0.0833333","","Kanishcheva, A.S.; Kargin, V.F.; Mikhailov, Yu.N.; Kargin, Yu.F.; Skorikov, V.M.","Synthese und Strukturuntersuchung von dem Doppelphosphat Pb11 Nb (P O4)9.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","994","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","167302","2020-10-21","18:00:00",""
"1538654","3.425","","3.425","","5.34","","90","","90","","120","","54.249","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni S -","- Ni S -","- Ni2 S2 -","2","0.0833333","","Lundqvist, D.","X-ray studies in the binary system Ni-S","Arkiv foer Kemi, Mineralogi och Geologi","1947","24","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538656","5.64","","5.64","","5.64","","116.62","","116.62","","116.62","","83.723","","","","","","","","","","","","","2","R 3 m :R","P 3* -2","160","","","","- Ni S -","- Ni S -","- Ni3 S3 -","3","0.5","","Lundqvist, D.","X-ray studies in the binary system Ni-S","Arkiv foer Kemi, Mineralogi och Geologi","1947","24","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538727","3.8333","","3.8333","","9.325","","90","","90","","90","","137.023","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ni2 P2 Yb -","- Ni2 P2 Yb -","- Ni4 P4 Yb2 -","2","0.0625","","Marchand, R.; Jeitschko, W.","Ternary lanthanoid-transition metal pnictides with ThCr2Si2-type structure","Journal of Solid State Chemistry","1978","24","","351","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538905","5.816","","10.399","","8.182","","90","","90","","90","","494.852","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ho.63 Al.74 B14","","- Al0.74 B14 Ho0.63 -","- Al0.74 B14 Ho0.63 -","- Al2.96 B56 Ho2.52 -","4","0.25","","Kuz'ma, Yu.B.; Gurin, V.N.; Korsukova, M.M.; Chikhrii, S.I.; Chaban, N.F.","Neue Alumoboride von Seltenerdmetallen mit einer Struktur vom Typ Mg Al B14.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1986","1989","","","","","","","","","","","","","","","","","","","","","","has coordinates","167617","2020-10-21","18:00:00",""
"1539076","3.1964","","3.1964","","5.0511","","90","","90","","120","","44.693","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Hf -","- Hf -","- Hf2 -","2","0.0833333","","Russell, R.","On the Zr-Hf system","Journal of Applied Physics","1953","24","","232","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539113","9.743","","10.001","","3.728","","90","","90","","90","","363.255","","","","","","","","","","","","","4","B b m m","-B 2 2b","63","","(Mg.5 Fe.5) Ti2 O5","","- Fe0.5 Mg0.5 O5 Ti2 -","- Fe0.5 Mg0.5 O5 Ti2 -","- Fe2 Mg2 O20 Ti8 -","4","0.25","","Smyth, J.R.","The crystal chemistry of armacolites from apollo 17","Earth and Planetary Science Letters","1974","24","","262","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","209183","2020-10-21","18:00:00",""
"1539146","12.269","","13.468","","12.857","","90","","95.08","","90","","2116.13","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K2 (U O2) (Mo O4)2","","- K2 Mo2 O10 U -","- K2 Mo2 O10 U -","- K16 Mo16 O80 U8 -","8","2","","Sadikov, G.G.; Krasovskaya, T.I.; Polyakov, Yu.A.; Nikolaev, V.P.","Struktur- und Spektralanalyse von Kaliumdimolybdatouranylat","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","109","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539183","4.157","","4.157","","5.765","","90","","90","","120","","86.276","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Sb -","- Mn Sb -","- Mn2 Sb2 -","2","0.0833333","","Vanyarkho, V.G.; Moshchalkova, N.A.; Shtanova, O.K.","On the existence of the compound Mn Sb","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1988","24","","1194","1195","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539243","8.849","","8.849","","13.059","","90","","90","","90","","1022.58","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Pb Tl4 Te3","","- Pb Te3 Tl4 -","- Pb Te3 Tl4 -","- Pb4 Te12 Tl16 -","4","0.125","","Voroshilov, Yu.V.; Gurzan, M.I.; Kish, Z.Z.; Lada, L.V.","Phase equilibria in the Tl-Pb-Te system and crystal structures of Tl4 B(IV) X3 and Tl9 B(V) X6 compounds","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1988","24","","1265","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539350","5.409","","5.409","","5.409","","90","","90","","90","","158.253","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Ni Zn32 S33)0.12","","- Ni0.12 S4 Zn3.88 -","- Ni0.12 S4 Zn3.88 -","- Ni0.12 S4 Zn3.88 -","1","0.0104167","","Wu, P.; Kershaw, R.; Dwight, K.; Wold, A.","Growth and characterization of nickel-doped Zn S single crystals","Materials Research Bulletin","1989","24","","49","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","168232","2020-10-21","18:00:00",""
"1539429","7.087","","10.502","","8.436","","90","","107.31","","90","","599.435","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K3 Mn (C N)6","","- C6 K3 Mn N6 -","- C6 K3 Mn N6 -","- C12 K6 Mn2 N12 -","2","0.5","","Vannerberg, N.G.","The OD-structure of K3 Mn (C N)6","Acta Chemica Scandinavica, Series A: (28,1974-)","1970","24","","2335","2348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539672","8.36","","8.36","","8.36","","90","","90","","90","","584.277","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Gd2 (Mn S4)","","- Gd2 Mn S4 -","- Gd2.01 Mn0.99 S4 -","- Gd8.04 Mn3.96 S16 -","4","0.0833333","","Ben-Dor, L.; Felner, I.; Shilo, I.","Magnetic, structural, and Moessbauer effect study of Mn Gd2 S4","Journal of Solid State Chemistry","1978","24","","401","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539816","7.857","","7.857","","11.503","","90","","90","","90","","710.108","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ce2 Ni17 Si9 -","- Ce2 Ni17 Si9 -","- Ce4 Ni34 Si18 -","2","0.0625","","Bodak, O.I.","Crystal structure of Ce Ni8.5 Si4.5","Soviet Physics, Crystallography (= Kristallografiya)","1979","24","","732","734","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539906","6.674","","6.117","","3.304","","90","","110.33","","90","","126.483","","","","","","","","","","","","","1","C 1 2/m 1","-C 2y","12","","","","- Bi -","- Bi -","- Bi4 -","4","0.5","","Brugger, R.M.; Bennion, R.B.; Worlton, T.G.","The crystal structure of bismuth-II at 26 kbar","Physics Letters A","1967","24","","714","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539953","6.716","","6.602","","6.728","","104.9","","91.82","","118.94","","247.944","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Re Se2 -","- Re Se2 -","- Re4 Se8 -","4","2","","Wildervanck, J.C.; Jellinek, F.","The dichalcogenides of technetium and rhenium","Journal of the Less-Common Metals","1971","24","","73","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540094","11.534","","11.534","","11.534","","90","","90","","90","","1534.4","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- Cu12.32 In18.04 Se32 -","- Cu12.33 In18.04 Se32 -","- Cu12.33 In18.04 Se32 -","1","0.0416667","","Hoenle, W.; Kuehn, G.; Boehnke, U.C.","The crystal structure of a quenched Cu-rich beta phase with the composition Cu14 In16.7 Se32","Journal of Materials Science","1989","24","","2483","2487","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540131","4.451","","4.451","","8.146","","90","","90","","120","","139.762","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ca Cu Sb -","- Ca Cu Sb -","- Ca2 Cu2 Sb2 -","2","0.0833333","","Iandelli, A.","The structure of some ternary phases of calcium","Revue de Chimie Minerale","1987","24","","28","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540348","5.816","","10.399","","8.182","","90","","90","","90","","494.852","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Al Ho B14","","- Al B14 Ho -","- Al B14 Ho -","- Al4 B56 Ho4 -","4","0.25","","Kuz'ma, Yu.B.; Gurin, V.N.; Chikhrii, S.I.; Korsukova, M.M.; Chaban, N.F.","Neue Alumoboride von Seltenerdmetallen mit einer Struktur vom Typ Mg Al B14.","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1988","24","","1705","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540924","7.3969","","7.3969","","7.3969","","90","","90","","90","","404.715","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Zn2 Zr -","- Zn2 Zr -","- Zn16 Zr8 -","8","0.0416667","","Schreurs, L.W.M.; Weijers, H.M.; van Deursen, A.P.J.; de Vroomen, A.R.","Growth and electrical properties of Zr Zn2 single crystals","Materials Research Bulletin","1989","24","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541108","19.604","","5.339","","16.038","","90","","136.05","","90","","1165.02","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Re2 Sc3 Si3 -","- Re2 Sc3 Si3 -","- Re16 Sc24 Si24 -","8","2","","Pecharskii, V.K.; Gladyshevskii, E.I.; Bodak, O.I.","Crystal structure of Sc Re2 Si3 and Sc3 Re2 Si3","Soviet Physics, Crystallography (= Kristallografiya)","1979","24","","433","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541136","5.6919","","5.6919","","8.0905","","90","","90","","90","","262.114","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Sr Ta O2 N","","- N O2 Sr Ta -","- N O2 Sr Ta -","- N4 O8 Sr4 Ta4 -","4","0.25","","Pors, F.; Laurent, Y.; Bacher, P.; Marchand, R.; Roult, G.","Neutron diffraction study of the SrTaO2N oxynitride perovskite and of the Ba1-xSrxTaO2N solid solution","Revue Internationale des Hautes Temperatures et des Refractaires","1988","24","","239","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541200","7.59","","7.59","","43.2","","90","","90","","120","","2155.25","","","","","","","","","","","","","2","R 3 :H","R 3","146","","","","- Pd8 Sb3 -","- Pd8 Sb3 -","- Pd96 Sb36 -","12","1.33333","","Man, L.I.; Imamov, R.M.","Crystal structure of the rhombohedral phase in the Pd-Sb system","Soviet Physics, Crystallography (= Kristallografiya)","1979","24","","365","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542002","6.495","","9.32","","11.393","","90","","133.88","","90","","497.1","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Te (O H)6","","- H6 O6 Te -","- H5 O6 Te -","- H20 O24 Te4 -","4","1","","Lindqvist, O.","The crystal structure of telluric acid, Te (O H)6 (mon)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3178","3188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542242","8.082","","9.164","","4.434","","90","","90","","90","","328.397","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","N H4 F H2 O2","","- F H6 N O2 -","- F H6 N O2 -","- F4 H24 N4 O8 -","4","0.5","","Sarin, V.A.; Dudarev, V.Ya.; Dobrynina, T.A.; Zavodnik, V.E.","An X-Ray structural investigation of N H4 F H2 O2 crystals","Kristallografiya","1979","24","","824","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542738","6.061","0.017","3.384","0.013","11.575","0.006","90","","90","","90","","237.4","1.1","","","","","","","","","","","","4","P 1","P 1","1","","","","- C14 H6 N2 O2 -","- C14 H6 N2 O2 -","- C14 H6 N2 O2 -","1","1","","Fratini, Albert V.; Cross, Elisa M.; O'brien, Joseph F.; Adams, W. Wade","The structure of poly-2,5-benzoxazole (ABPBO) and poly-2,6-benzothiazole (ABPBT) fibers by X-ray diffraction","Journal of Macromolecular Science, Part B","1985","24","1-4","159","179","10.1080/00222348508248023","","","","","","","0.208","","","","","","","","","","","","","","has coordinates","178018","2020-10-21","18:00:00",""
"1542739","6.044","0.006","3.417","0.007","12.194","0.018","90","","90","","90","","251.8","0.7","","","","","","","","","","","","4","P 1","P 1","1","","","","- C14 H6 N2 S2 -","- C14 H6 N2 S2 -","- C14 H6 N2 S2 -","1","1","","Fratini, Albert V.; Cross, Elisa M.; O'brien, Joseph F.; Adams, W. Wade","The structure of poly-2,5-benzoxazole (ABPBO) and poly-2,6-benzothiazole (ABPBT) fibers by X-ray diffraction","Journal of Macromolecular Science, Part B","1985","24","1-4","159","179","10.1080/00222348508248023","","","","","","","0.095","","","","","","","","","","","","","","has coordinates","178019","2020-10-21","18:00:00",""
"1544371","4.79","0.003","4.79","0.003","4.344","0.003","90","","90","","120","","86.32","0.1","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","Mg1.24Si1.76H2.48O6 phase G (D)","","phase D","- H2.48 Mg1.24 O6 Si1.76 -","- Mg1.24 O6 Si1.76 -","- Mg1.24 O6 Si1.76 -","1","0.0833333","","Kudoh, Y.; Nagase, T.; Mizohata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.","Structure and crystal chemistry of phase G, a new hydrous magnesium silicate synthesized at 22 GPa and 1050 C","Geophysical Research Letters","1997","24","","1051","1054","","","","","","","","","","","","","","","","","","","","","","has coordinates","187619","2020-10-21","18:00:00",""
"1557721","9.2868","0.0002","18.0311","0.0003","22.9054","0.0004","90","","90","","90","","3835.54","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 Mn N7 O7 S2 -","- C32 H41 F6 Mn N7 O7 S2 -","- C128 H164 F24 Mn4 N28 O28 S8 -","4","1","","Beaver, Matthew G.; Shi, Xianqing; Riedel, Jan; Patel, Parth; Zeng, Alicia; Corbett, Michael T.; Robinson, Jo Anna; Parsons, Andrew T.; Cui, Sheng; Baucom, Kyle; Lovette, Michael A.; Içten, Elçin; Brown, Derek B.; Allian, Ayman; Flick, Tawnya G.; Chen, Wendy; Yang, Ning; Walker, Shawn D.","Continuous Process Improvement in the Manufacture of Carfilzomib, Part 2: An Improved Process for Synthesis of the Epoxyketone Warhead","Organic Process Research & Development","2020","24","4","490","499","10.1021/acs.oprd.0c00052","","","0.71073","MoKα","","0.075","0.0543","","","0.1332","0.148","","","","","","1.056","","","","has coordinates,has disorder","257168","2020-10-21","18:00:00",""
"1558898","8.71929","0.00008","8.71929","0.00008","21.4656","0.0002","90","","90","","120","","1413.31","0.02","","","298","","","","100","","","","","3","R 3 :H","R 3","146","beta-Li10P4N10","","","- Li10 N10 P4 -","- Li9.9999 N10 P4 -","- Li59.9994 N60 P24 -","6","0.666667","","Bertschler, E.-M.; Dietrich, C.; Leichtweib, T.; Janek, J.; Schnick, W.","Li+ ion conductors with adamantane-type nitridophosphate anions beta-Li10P4N10 and Li13P4N10X3 with X = Cl, Br","Chemistry A European Journal","2018","24","","196","205","10.1002/chem.201704305","","","","","","","","","","","","","","","","","","","","","has coordinates","255591","2020-10-21","18:00:00",""
"1558899","13.9321","0.0002","13.9321","0.0002","13.9321","0.0002","90","","90","","90","","2704.27","0.07","","","298","","","","100","","","","","4","F m -3 m","-F 4 2 3","225","Li13P4N10Cl3","","","- Cl3 Li13 N10 P4 -","- Cl3 Li13 N10 P4 -","- Cl24 Li104 N80 P32 -","8","0.0416667","","Bertschler, E.-M.; Dietrich, C.; Leichtweib, T.; Janek, J.; Schnick, W.","Li+ ion conductors with adamantane-type nitridophosphate anions beta-Li10P4N10 and Li13P4N10X3 with X = Cl, Br","Chemistry A European Journal","2018","24","","196","205","10.1002/chem.201704305","","","","","","","","","","","","","","","","","","","","","has coordinates","255592","2020-10-21","18:00:00",""
"1558900","14.1096","0.0007","14.1096","0.0007","14.1096","0.0007","90","","90","","90","","2809","0.2","","","298","","","","100","","","","","4","F m -3 m","-F 4 2 3","225","Li13P4N10Br3","","","- Br3 Li13 N10 P4 -","- Br3 Li13 N10 P4 -","- Br24 Li104 N80 P32 -","8","0.0416667","","Bertschler, E.-M.; Dietrich, C.; Leichtweib, T.; Janek, J.; Schnick, W.","Li+ ion conductors with adamantane-type nitridophosphate anions beta-Li10P4N10 and Li13P4N10X3 with X = Cl, Br","Chemistry A European Journal","2018","24","","196","205","10.1002/chem.201704305","","","","","","","","","","","","","","","","","","","","","has coordinates","255595","2020-10-21","18:00:00",""
"1566629","7.2387","0.0001","9.6411","0.0002","10.4545","0.0002","81.448","0.001","75.399","0.001","70.165","0.002","662.56","0.02","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0165","0.0164","","","0.0431","0.0432","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566630","9.9154","0.0001","12.3655","0.0001","15.4749","0.0002","106.08","0.001","99.172","0.001","91.827","0.001","1794.03","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cd N4 O6 P2 S4 -","- C26 H42 Cd N4 O6 P2 S4 -","- C52 H84 Cd2 N8 O12 P4 S8 -","2","1","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0184","0.0178","","","0.046","0.0463","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566631","9.0611","0.0003","9.2065","0.0003","10.5703","0.0004","82.436","0.003","77.672","0.003","64.113","0.003","774.27","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0159","0.0158","","","0.0396","0.0397","","","","","","1.063","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1568596","15.632","0.001","25.5634","0.0015","12.2766","0.0008","90","","90","","90","","4905.8","0.5","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C27 H36 Br2 Mo5 N18 O2 Se5 -","- C27 H28 Br2 Mo5 N18 O2 Se5 -","- C108 H112 Br8 Mo20 N72 O8 Se20 -","4","0.5","","Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.","Unusual Square Pyramidal Chalcogenide Mo<sub>5</sub> Cluster with Bridging Pyrazolate-Ligands.","International journal of molecular sciences","2023","24","4","3440","","10.3390/ijms24043440","","x-ray","0.71073","MoKα","","0.0462","0.0331","","","0.0814","0.0852","","","","","","1.064","","","","has coordinates,has disorder","281631","2023-03-05","14:52:02",""
"1568597","15.6443","0.0004","15.6443","0.0004","11.3058","0.0002","90","","90","","90","","2767.03","0.11","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C39 H48 Br Mo5 N26 Se5 -","- C39 H44 Br Mo5 N26 Se5 -","- C78 H88 Br2 Mo10 N52 Se10 -","2","0.25","","Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.","Unusual Square Pyramidal Chalcogenide Mo<sub>5</sub> Cluster with Bridging Pyrazolate-Ligands.","International journal of molecular sciences","2023","24","4","3440","","10.3390/ijms24043440","","x-ray","0.71073","MoKα","","0.0233","0.0197","","","0.0493","0.0506","","","","","","1.053","","","","has coordinates","281632","2023-03-05","14:52:37",""
"1569045","6.111","0.004","5.467","0.003","5.114","0.002","90","","114.68","0.07","90","","155.25","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C4 Cu2 O8 -","2","0.5","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","","0.71073","MoKα","","0.1757","0.1325","","","0.369","0.3923","","","","","","1.229","","","","has coordinates","283530","2023-05-05","19:59:28",""
"1569046","5.601","0.002","5.415","0.003","2.5553","0.0008","90","","90","","90","","77.5","0.06","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C2 Cu O4 -","1","0.125","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.0905","0.0726","","","0.1854","0.2027","","","","","","1.135","","","","has coordinates,has disorder","283531","2023-05-05","19:59:45",""
"1569047","5.607","0.002","5.428","0.002","2.5579","0.0007","90","","90","","90","","77.85","0.05","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C2 Cu O4 -","1","0.125","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.0994","0.081","","","0.2135","0.258","","","","","","1.207","","","","has coordinates","283532","2023-05-05","19:59:58",""
"1569048","6.147","0.003","5.433","0.002","5.1173","0.0018","90","","114.51","0.05","90","","155.5","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C4 Cu2 O8 -","2","0.5","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.1334","0.0958","","","0.2519","0.2706","","","","","","1.27","","","","has coordinates","283533","2023-05-05","20:00:14",""
"1569280","16.1779","0.0004","3.8873","0.0001","16.1804","0.0004","90","","119.312","0.003","90","","887.28","0.05","100","0.1","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Br2 N4 S2 -","- C6 Br2 N4 S2 -","- C24 Br8 N16 S8 -","4","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-<i>d</i>:4,5-<i>d</i>']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","","0.71073","MoKα","","0.0392","0.039","","","0.1055","0.1057","","","","","","1.061","","","","has coordinates","284355","2023-06-05","20:53:04",""
"1569281","3.738","0.003","9.027","0.005","10.156","0.009","82.88","0.04","87.48","0.04","83.96","0.04","338","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H2 N4 S2 -","- C6 H2 N4 S2 -","- C12 H4 N8 S4 -","2","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-<i>d</i>:4,5-<i>d</i>']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","x-ray","0.71073","MoKα","","0.0392","0.0361","","","0.086","0.0881","","","","","","1.092","","","","has coordinates","284356","2023-06-05","20:53:28",""
"1569282","12.5976","0.0003","9.2941","0.0002","6.9912","0.0002","90","","103.562","0.003","90","","795.73","0.04","99.97","0.18","99.97","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H Br N4 S2 -","- C6 H Br N4 S2 -","- C24 H4 Br4 N16 S8 -","4","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-<i>d</i>:4,5-<i>d</i>']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","x-ray","0.71073","MoKα","","0.0361","0.0286","","","0.0653","0.0675","","","","","","1.038","","","","has coordinates","284357","2023-06-05","20:53:51",""
"2002484","4.124","0.0004","4.124","0.0004","20.82309","0.0034","90","","90","","90","","354.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Barium distrontium diindium oxide","","- Ba In2 O6 Sr2 -","- Ba In2 O6 Sr2 -","- Ba2 In4 O12 Sr4 -","2","0.0625","","Lalla, A; Mueller-Buschbaum, Hk","Ein neues Erdalkalimetall - Oxoindat der Formel Ba Sr2 In2 O6","Revue de Chimie Minerale","1987","24","","605","612","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2105345","5.64","","8.33","","7.12","","90","","92.25","","90","","334.248","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ag Mn O4 -","- Ag Mn O4 -","- Ag4 Mn4 O16 -","4","1","","Boonstra, E.G.","The crystal structure of silver permanganate","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1053","1062","10.1107/S0567740868003699","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105389","4.8807","","4.8807","","4.8807","","90","","90","","90","","116.264","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Au V3 -","- Au0.999 V3.001 -","- Au1.998 V6.002 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","10.1107/S0567740868001937","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105395","14.927","","14.927","","9.441","","90","","90","","120","","1821.77","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Au41 Mg13 -","- Au41 Mg13 -","- Au82 Mg26 -","2","0.0833333","","Sato, H.; Toth, R.S.; Schubert, K.; Burkhardt, K.","Die Struktur der Phase Au77 Mg23","Acta Crystallographica B (24,1968-38,1982)","1968","24","","137","142","10.1107/S0567740868001809","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105403","4.613","","7.803","","4.129","","90","","90","","90","","148.624","","","","","","","","","","","","","2","C c m 21","C 2c -2c","36","","","","- B2 O3 -","- B2 O3 -","- B8 O12 -","4","0.5","","Shannon, R.D.; Prewitt, C.T.","Crystal structure of a high-pressure form of B2 O3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","869","874","10.1107/S0567740868003304","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105413","5.741","","3.232","","6.634","","90","","90","","90","","123.093","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mo Co B","","- B Co Mo -","- B Co Mo -","- B4 Co4 Mo4 -","4","0.5","","Jeitschko, W.","The crystal structure of Mo Co B and related compounds","Acta Crystallographica B (24,1968-38,1982)","1968","24","","930","934","10.1107/S0567740868003432","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106094","8.85","","8.85","","21.18","","90","","90","","90","","1658.87","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Pu3 Zn22 -","- Pu3 Zn22 -","- Pu12 Zn88 -","4","0.125","","Johnson, Q.; Wood, D.H.; Smith, G.S.","The crystal structure of Pu3 Zn22","Acta Crystallographica B (24,1968-38,1982)","1968","24","","480","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106109","6.697","","4.3655","","10.999","","90","","90","","90","","321.564","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ho Zn3 -","- Ho Zn3 -","- Ho4 Zn12 -","4","0.5","","Michel, D.J.; Ryba, E.","The crystal structure of Ho Zn3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106124","4.9689","","4.9689","","4.9689","","90","","90","","90","","122.682","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Mo3 Os -","- Mo3 Os -","- Mo6 Os2 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106125","5.1348","","5.1348","","5.1348","","90","","90","","90","","135.385","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Nb3 Os -","- Nb3 Os -","- Nb6 Os2 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106126","5.1524","","5.1524","","5.1524","","90","","90","","90","","136.782","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Nb3 Pt -","- Nb3.001 Pt0.999 -","- Nb6.002 Pt1.998 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106127","4.8254","","4.8254","","4.8254","","90","","90","","90","","112.357","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Pd V3 -","- Pd0.999 V3.001 -","- Pd1.998 V6.002 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106128","4.7852","","4.7852","","4.7852","","90","","90","","90","","109.572","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Rh V3 -","- Rh V3 -","- Rh2 V6 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106129","4.9682","","4.9682","","4.9682","","90","","90","","90","","122.63","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ir Mo3 -","- Ir0.999 Mo3.001 -","- Ir1.998 Mo6.002 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106130","4.7876","","4.7876","","4.7876","","90","","90","","90","","109.737","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ir V3 -","- Ir V3 -","- Ir2 V6 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106136","5.806","","5.806","","5.806","","90","","90","","90","","195.718","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Th C2)2.66","","- C4 Th4 -","- C4 Th4 -","- C4 Th4 -","1","0.00520833","","Bowman, A.L.; Krikorian, H.N.; Arnold, G.P.; Wallace, T.C.; Nereson, N.G.","The crystal structure of Th C2","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1121","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","144762","2020-10-21","18:00:00",""
"2106144","4.882","","4.882","","3.501","","90","","90","","120","","72.263","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd2 Y -","- Cd2 Y -","- Cd2 Y -","1","0.0833333","","Elmendorf, R.; Ryba, E.","A note on the structure of Y Cd2","Acta Crystallographica B (24,1968-38,1982)","1968","24","","462","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106158","6.7","","4.398","","10.06","","90","","90","","90","","296.434","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy Zn3 -","- Dy Zn3 -","- Dy4 Zn12 -","4","0.5","","Michel, D.J.; Ryba, E.","The crystal structure of Ho Zn3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106169","4.681","","4.681","","4.681","","90","","90","","90","","102.569","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Cr2.88 Ir1.12","","- Cr2.919 Ir1.081 -","- Cr2.919 Ir1.081 -","- Cr5.838 Ir2.162 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","146527","2020-10-21","18:00:00",""
"2106170","4.6842","","4.6842","","4.6842","","90","","90","","90","","102.779","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Cr3 Os -","- Cr3 Os -","- Cr6 Os2 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106171","4.7058","","4.7058","","4.7058","","90","","90","","90","","104.208","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Cr3 (Cr0.16 Pt0.84)","","- Cr3.16 Pt0.84 -","- Cr3.16 Pt0.84 -","- Cr6.32 Pt1.68 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","146529","2020-10-21","18:00:00",""
"2106172","4.6768","","4.6768","","4.6768","","90","","90","","90","","102.293","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Cr3.14 Ru0.86 -","- Cr3.142 Ru0.858 -","- Cr6.284 Ru1.716 -","2","0.0416667","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106397","6.69","","4.405","","10.111","","90","","90","","90","","297.966","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Y Zn3 -","- Y Zn3 -","- Y4 Zn12 -","4","0.5","","Michel, D.C.; Ryba, E.","The crystal structure of Ho Zn3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106809","4.828","","6.004","","12.794","","90","","90","","90","","370.864","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Be F3","","- Be Cs F3 -","- Be Cs F3 -","- Be4 Cs4 F12 -","4","0.5","","Steinfink, H.; Brunton, G.D.","The crystal structure of Cs Be F3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","807","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2107069","15.7968","","12.64","","3.6016","","90","","90","","90","","719.137","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Zr2 Se","","- Se Zr2 -","- Se Zr2 -","- Se12 Zr24 -","12","1.5","","Franzen, H.F.; Norrby, L.J.","The crystal structure of Zr2 Se","Acta Crystallographica B (24,1968-38,1982)","1968","24","","601","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107164","6.73","","6.73","","6.83","","90","","90","","90","","309.351","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- H2 O -","- H2 O -","- H24 O12 -","12","1.5","","Kamb, B.; Prakash, A.","Structure of ice III","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1317","1327","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:26",""
"2107171","6.697","","4.3655","","10.099","","90","","90","","90","","295.252","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ho Zn3 -","- Ho Zn3 -","- Ho4 Zn12 -","4","0.5","","Michel, D.J.; Ryba, E.","The crystal structure of Ho Zn3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1267","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107216","4.9878","","4.9878","","4.9878","","90","","90","","90","","124.087","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","(Mo4 Pt)1.6","","- Mo6.4 Pt1.6 -","- Mo6.4 Pt1.6 -","- Mo6.4 Pt1.6 -","1","0.0208333","","van Reuth, E.C.; Waterstrat, R.M.","Atomic ordering in binary A15-type phases","Acta Crystallographica B (24,1968-38,1982)","1968","24","","186","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","168508","2020-10-21","18:00:00",""
"2107247","19.1551","","4.4988","","18.2554","","90","","163.54","","90","","445.748","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Al4 Li9 -","- Al4 Li9 -","- Al8 Li18 -","2","0.25","","Hansen, D.A.; Smith, J.F.","The structure of Li9 Al4","Acta Crystallographica B (24,1968-38,1982)","1968","24","","913","918","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107255","6.503","","3.434","","9.215","","90","","103.39","","90","","200.189","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Nb2 Se3 -","- Nb2 Se3 -","- Nb4 Se6 -","2","0.5","","Kadijk, F.; Huisman, R.; Jellinek, F.","The crystal structures of niobium(III) selenide and tantalum(III) selenide","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1102","1106","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107339","12.111","","12.111","","12.111","","90","","90","","90","","1776.4","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Y3 Al3.08 Ga1.92 O12","","- Al3.08 Ga1.92 O12 Y3 -","- Al3.081 Ga1.919 O12 Y3 -","- Al24.648 Ga15.352 O96 Y24 -","8","0.0833333","","Marezio, M.; Remeika, J.P.; Dernier, P.D.","Cation Distribution in Y3 Al5-c Gac O12 Garnet","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1670","1674","","","","","","","","","","","","","","","","","","","","","","has coordinates","173006","2020-10-21","18:00:00",""
"2107343","12.195","","36.74","","3.951","","90","","90","","90","","1770.22","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Nb22 W20 O102","","- Nb22 O102 W20 -","- Nb21.924 O102 W20.076 -","- Nb21.924 O102 W20.076 -","1","0.125","","Stephenson, N.C.","A Structural Investigation of Some Stable Phases in the Region Nb2 O5 W O3 - W O3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","637","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","173050","2020-10-21","18:00:00",""
"2107344","12.195","","36.73999","","3.951","","90","","90","","90","","1770.22","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Nb18 W16 O93","","- Nb18 O93 W16 -","- Nb18 O93 W16 -","- Nb18 O93 W16 -","1","0.125","","Stephenson, N.C.","A structural investigation of some stable phases in the region Nb2 O5 W O3 - W O3","Acta Crystallographica B (24,1968-38,1982)","1968","24","","637","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","173052","2020-10-21","18:00:00",""
"2107354","11.961","","11.961","","8.078","","90","","90","","90","","1155.68","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(N H3)5 Co O2 Co (N H3)5 (N O3)5","","- Co2 H30 N15 O17 -","- Co2 H30 N15 O17 -","- Co4 H60 N30 O34 -","2","0.125","","Marsh, R.E.; Schaefer, W.P.","The Crystal Structure of Decaammine-mue-peroxo-dicobalt Pentanitrate","Acta Crystallographica B (24,1968-38,1982)","1968","24","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107375","13.4","","13.4","","3.28","","90","","90","","133","","430.736","","","","","","","","","","","","","3","P 1 1 2","P 2","3","","","","- Cu2 In2 O5 -","- Cu2 In2 O5 -","- Cu8 In8 O20 -","4","2","","Bergerhoff, G.; Kasper, H.","Die Kristallstruktur des Kupfer - Indium - Oxids, Cu2 In2 O5","Acta Crystallographica B (24,1968-38,1982)","1968","24","","388","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107994","9.268","0.005","26.601","0.005","2.888","0.002","90","","90","","90","","712","0.6","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","Na4Mn4Ti5O18, W.G. Mumme, Acta Cryst.,","","","- Mn4 Na4 O18 Ti5 -","- Mn4 Na6 O18 Ti5 -","- Mn8 Na12 O36 Ti10 -","2","0.25","","Mumme, W. G.","The structure of Na~4~Mn~4~Ti~5~O~18~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1968","24","8","1114","1120","10.1107/s0567740868003778","","","","","","","","","","","","","","","","","","","","","has coordinates","200777","2020-10-21","18:00:00",""
"3000469","7.5659","0.0015","17.275","0.004","15.599","0.003","90","","96.167","0.005","90","","2027","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.71073","MoKα","","0.1129","0.065","","","0.1566","0.1889","","","","","","1.026","","","","has coordinates","294766","2024-09-17","01:07:21",""
"3000470","3.795","","14.526","","17.715","","97.17","","96.81","","99.79","","945.003","","79","","79","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H10 N4 O2 -","- C20 H10 N4 O2 -","- C40 H20 N8 O4 -","2","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.02508","electrons","","0.2225","","","","0.4048","","","","","","","1.281","","","","has coordinates,has disorder","299433","2025-04-28","11:31:25",""
"3000471","15.213","","37.104","","3.805","","90","","90","","90","","2147.78","","79","","79","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C112 H80 O16 -","8","0.5","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.02508","electrons","","0.1519","0.1339","","","0.3188","0.328","","","","","","1.261","","","","has coordinates","299470","2025-05-01","08:33:31",""
"3000472","3.912","","13.011","","15.416","","79.38","","88.39","","81.41","","762.568","","79","","79","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.02508","electrons","","0.201","0.1411","","","0.3735","","","","","","","1.19","","","","has coordinates","299433","2025-04-28","11:31:25",""
"3000473","7.156","0.0003","12.5164","0.0005","13.2162","0.0006","90","","99.465","0.002","90","","1167.62","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 N4 -","- C14 H6 N4 -","- C56 H24 N16 -","4","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.71073","MoKα","","0.0645","0.0586","","","0.1415","0.1484","","","","","","1.132","","","","has coordinates","294770","2024-09-17","01:14:27",""
"3000474","4.619","","9.567","","38.517","","90","","90.08","","90","","1702.06","","79","","79","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.02508","electrons","","0.2196","","","","0.4732","","","","","","","1.679","","","","has coordinates","299433","2025-04-28","11:31:25",""
"3000475","4.6343","0.0008","7.5342","0.0012","12.9284","0.0019","74.649","0.007","84.853","0.009","78.442","0.007","426.15","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N O2 -","- C9 H8 N O2 -","- C18 H16 N2 O4 -","2","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.71073","MoKα","","0.1205","0.0959","","","0.2574","0.2851","","","","","","1.031","","","","has coordinates","294772","2024-09-17","01:16:29",""
"3000476","3.7388","0.0002","11.9046","0.0005","40.4205","0.0019","90","","92.318","0.005","90","","1797.6","0.15","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H10 N4 O2 -","- C20 H10 N4 O2.005 -","- C80 H40 N16 O8.02 -","4","2","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","x-ray","0.812","Synchrotron","","0.2474","","","","0.4468","","","","","","","1.667","","","","has coordinates,has disorder","299433","2025-04-28","11:31:25",""
"4001613","12.2473","0.0005","25.914","","25.9141","0.0009","90","","90","","90","","8224.5","0.4","173","2","173","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H28 Cu4 O24 -","- C37 H20 Cu4 O24 -","- C148 H80 Cu16 O96 -","4","0.5","","Zhuang, Wenjuan; Yuan, Daqiang; Liu, Dahuan; Zhong, Chongli; Li, Jian-Rong; Zhou, Hong-Cai","Robust Metal‒Organic Framework with An Octatopic Ligand for Gas Adsorption and Separation: Combined Characterization by Experiments and Molecular Simulation","Chemistry of Materials","2012","24","1","18","","10.1021/cm2008889","","","0.71073","MoKα","","0.1198","0.0508","","","0.0964","0.1066","","","","","","0.735","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001614","17.65","0.0014","7.9259","0.0007","21.0834","0.0018","90","","105.958","0.008","90","","2835.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C156 H108 N12 -","4","1","","Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Lo, Ming-Fai; Ng, Tsz-Wai; Chan, Mei-Yee; Wen, Zhi-Chun; He, Jun; Jeff, Kc-Sham; Tang, Xiang-Lin; Liu, Wei-Min; Ko, Chi-Chiu; Wang, Peng-Fei; Lee, Chun-Sing","High Efficiency Nondoped Deep-Blue Organic Light Emitting Devices Based on Imidazole-π-triphenylamine Derivatives","Chemistry of Materials","2012","24","1","61","","10.1021/cm201789u","","","0.71073","MoKα","","0.1025","0.0521","","","0.1309","0.1748","","","","","","0.883","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001615","9.2677","0.0004","10.9653","0.0004","19.0829","0.0007","82.027","0.003","76.142","0.003","81.632","0.003","1851.85","0.13","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H39 N3 -","- C49 H39 N3 -","- C98 H78 N6 -","2","1","","Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Lo, Ming-Fai; Ng, Tsz-Wai; Chan, Mei-Yee; Wen, Zhi-Chun; He, Jun; Jeff, Kc-Sham; Tang, Xiang-Lin; Liu, Wei-Min; Ko, Chi-Chiu; Wang, Peng-Fei; Lee, Chun-Sing","High Efficiency Nondoped Deep-Blue Organic Light Emitting Devices Based on Imidazole-π-triphenylamine Derivatives","Chemistry of Materials","2012","24","1","61","","10.1021/cm201789u","","","0.71073","MoKα","","0.0816","0.0564","","","0.1607","0.1825","","","","","","1.136","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001616","13.166","0.004","7.605","0.002","9.496","0.003","90","","90","","90","","950.8","0.5","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga9 Pd3 Yb1.97 -","- Ga9.002 Pd3 Yb1.9742 -","- Ga36.008 Pd12 Yb7.8968 -","4","0.25","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71073","MoKα","","0.0754","0.0297","","","0.0731","0.0984","","","","","","0.893","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001617","7.608","0.003","7.608","0.003","28.508","0.015","90","","90","","120","","1429","1.1","298","2","298","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","","","","- Ga9 Pd3 Yb2 -","- Ga9 Pd3 Yb2 -","- Ga54 Pd18 Yb12 -","6","0.5","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71069","MoKα","","0.1323","0.0725","","","0.1085","0.1438","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001618","13.186","0.003","7.5987","0.0015","10.476","0.002","90","","114.9","0.009","90","","952.1","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga9 Pd3 Yb2 -","- Ga9 Pd3 Yb2 -","- Ga36 Pd12 Yb8 -","4","0.5","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71073","MoKα","","0.0685","0.0534","","","0.1883","0.197","","","","","","1.349","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001619","39.021","0.008","7.343","0.0015","7.3939","0.0015","90","","90","","90","","2118.6","0.7","373","1","373","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0653","0.0544","","","0.1481","0.1597","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001620","7.2099","0.0009","7.2664","0.0009","38.238","0.005","90","","90","","90","","2003.3","0.4","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","0.5","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0437","0.04","","","0.1106","0.112","","","","","","1.329","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001621","18.5561","0.0004","18.5561","0.0004","21.2628","0.0005","90","","90","","120","","6340.5","0.2","150","2","150","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C73 H57 Br2 Cl9 Cu2 N2 P4 -","- C73 H57 Br2 Cl9 Cu2 N2 P4 -","- C219 H171 Br6 Cl27 Cu6 N6 P12 -","3","0.5","","Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong","Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine","Chemistry of Materials","2012","24","3","480","","10.1021/cm202608f","","","1.54178","CuKα","","0.1139","0.1041","","","0.2175","0.2221","","","","","","1.091","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001622","18.41","0.004","18.41","0.004","21.321","0.002","90","","90","","120","","6258","2","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C37 H29 Cl7 Cu N P2 -","- C37 H29 Cl7 Cu N P2 -","- C222 H174 Cl42 Cu6 N6 P12 -","6","1","","Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong","Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine","Chemistry of Materials","2012","24","3","480","","10.1021/cm202608f","","","1.54178","CuKα","","0.2134","0.1237","","","0.2375","0.2615","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001623","27.6","0.02","5.633","0.004","7.961","0.007","90","","95.498","0.012","90","","1232","1.7","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H8 F3 N O2 -","- C15 H8 F3 N O2 -","- C60 H32 F12 N4 O8 -","4","1","","Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro","Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds","Chemistry of Materials","2012","24","4","671","","10.1021/cm202650u","","","0.71075","MoKα","","","0.0615","","","","0.1543","","","","","","1.089","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001624","8.2084","0.0008","5.7718","0.0006","28.328","0.003","90","","90","","90","","1342.1","0.2","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H8 F5 N O2 S -","- C14 H8 F5 N O2 S -","- C56 H32 F20 N4 O8 S4 -","4","1","","Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro","Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds","Chemistry of Materials","2012","24","4","671","","10.1021/cm202650u","","","0.71075","MoKα","","","0.0786","","","","0.2467","","","","","","1.127","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001625","13.582","0.0004","10.8173","0.0003","14.7037","0.0005","90","","110.628","0.001","90","","2021.78","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co2 N O11 -","- C18 H14 Co2 N O11 -","- C72 H56 Co8 N4 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0344","0.031","","","0.0848","0.0878","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001626","13.5674","0.0005","10.7942","0.0004","14.6837","0.0005","90","","110.638","0.001","90","","2012.42","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co1.66 N Ni0.34 O11 -","- C18 H14 Co1.66 N Ni0.34 O11 -","- C72 H56 Co6.64 N4 Ni1.36 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0276","0.0257","","","0.0759","0.0769","","","","","","1.075","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001627","13.5146","0.0008","10.7692","0.0006","14.6278","0.0008","90","","110.631","0.001","90","","1992.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co1.09 N Ni0.91 O11 -","- C18 H14 Co1.1 N Ni0.9 O11 -","- C72 H56 Co4.4 N4 Ni3.6 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0665","0.0428","","","0.0966","0.1096","","","","","","0.988","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001628","13.5186","0.0006","10.7685","0.0005","14.6323","0.0007","90","","110.63","0.001","90","","1993.51","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co0.25 N Ni1.75 O11 -","- C18 H14 Co0.26 N Ni1.74 O11 -","- C72 H56 Co1.04 N4 Ni6.96 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0459","0.0361","","","0.091","0.0965","","","","","","1.016","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001629","13.5204","0.0007","10.7639","0.0005","14.6348","0.0007","90","","110.532","0.001","90","","1994.54","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N Ni2 O11 -","- C18 H14 N Ni2 O11 -","- C72 H56 N4 Ni8 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.053","0.0394","","","0.1001","0.109","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001630","30.0618","0.0002","17.5261","0.0001","32.1751","0.0002","90","","101.536","0.0003","90","","16609.5","0.18","153.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H86 Cl24 Cr12 O111 Si W12 -","- C48 Cl24 Cr12 O112 Si W12 -","- C192 Cl96 Cr48 O448 Si4 W48 -","4","0.5","","Uchida, Sayaka; Eguchi, Ryo; Nakamura, Shinnosuke; Ogasawara, Yoshiyuki; Kurosawa, Noriyuki; Mizuno, Noritaka","Selective Sorption of Olefins by Halogen-Substituted Macrocation-Polyoxometalate Porous Ionic Crystals","Chemistry of Materials","2012","24","2","325","","10.1021/cm202976e","","","0.71069","MoKα","","","0.0388","","","","0.1351","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001631","30.2018","0.0002","17.6117","0.0001","32.5763","0.0003","90","","102.375","","90","","16924.9","0.2","153.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 Br24 Cr12 O110 Si W12 -","- C48 Br25 Cr12 O104 Si0.5 W12 -","- C192 Br100 Cr48 O416 Si2 W48 -","4","0.5","","Uchida, Sayaka; Eguchi, Ryo; Nakamura, Shinnosuke; Ogasawara, Yoshiyuki; Kurosawa, Noriyuki; Mizuno, Noritaka","Selective Sorption of Olefins by Halogen-Substituted Macrocation-Polyoxometalate Porous Ionic Crystals","Chemistry of Materials","2012","24","2","325","","10.1021/cm202976e","","","0.71069","MoKα","","","0.1255","","","","0.3669","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001632","31.674","0.014","10.142","0.005","24.001","0.01","90","","115.291","0.006","90","","6971","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 Cu2 I2 N4 -","- C34 H27 Cu2 I2 N4 -","- C272 H216 Cu16 I16 N32 -","8","1","","Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng","Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster","Chemistry of Materials","2012","24","5","954","","10.1021/cm2029855","","","0.71073","MoKα","","0.1285","0.0795","","","0.2013","0.2434","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001633","12.717","0.008","15.016","0.009","7.578","0.005","90","","90","","90","","1447.1","1.6","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng","Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster","Chemistry of Materials","2012","24","5","954","","10.1021/cm2029855","","","0.71073","MoKα","","0.1181","0.0462","","","0.1009","0.145","","","","","","1.082","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001634","16.801","0.003","8.3296","0.0017","11.623","0.002","90","","109.92","0.03","90","","1529.3","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Ga3 N5 -","- Ba3 Ga3 N5 -","- Ba24 Ga24 N40 -","8","1","","Hintze, Frauke; Hummel, Franziska; Schmidt, Peter J.; Wiechert, Detlef; Schnick, Wolfgang","Ba3Ga3N5—A Novel Host Lattice for Eu2±Doped Luminescent Materials with Unexpected Nitridogallate Substructure","Chemistry of Materials","2012","24","2","402","","10.1021/cm203323u","","","0.71073","MoKα","","0.0781","0.0523","","","0.1301","0.1458","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001642","4.86","0.03","10.22","0.04","14.8","0.08","74.14","0.15","87.14","0.11","80.75","0.15","698","6","120","","120","","","","","","","","","4","P -1","-P 1","2","Copper Hexadecafluorophthalocyanine","(29F,31F-phthalocyaninato(2-)-N29,N30,N31,N32)copper","","- C32 Cu F16 N8 -","- C32 Cu F16 N8 -","- C32 Cu F16 N8 -","1","0.5","","Pandey, Priyanka A.; Rochford, Luke A.; Keeble, Dean S.; Rourke, Jonathan P.; Jones, Tim S.; Beanland, Richard; Wilson, Neil R.","Resolving the Nanoscale Morphology and Crystallographic Structure of Molecular Thin Films: F16CuPc on Graphene Oxide","Chemistry of Materials","2012","24","7","1365","","10.1021/cm300073v","","","0.6889","Synchrotron","","0.1999","0.1238","","","0.2882","0.367","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001643","15.215","0.003","14.797","0.003","10.103","0.002","90","","101.369","0.004","90","","2229.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N2 O2 S2 -","- C50 H64 N2 O2 S2 -","- C100 H128 N4 O4 S4 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0886","0.0585","","","0.0902","0.0936","","","","","","1.835","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001644","18.2356","0.0012","14.3381","0.001","9.8764","0.0006","90","","96.891","0.005","90","","2563.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H68 N2 O2 S4 -","- C58 H68 N2 O2 S4 -","- C116 H136 N4 O4 S8 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.1028","0.054","","","0.1346","0.1671","","","","","","0.996","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001645","19.4619","0.0018","15.099","0.0013","9.847","0.0007","90","","96.944","0.006","90","","2872.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H72 N2 O2 S6 -","- C66 H72 N2 O2 S6 -","- C132 H144 N4 O4 S12 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.1517","0.0657","","","0.1519","0.1979","","","","","","0.975","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001646","57.201","0.008","10.5227","0.0015","9.1022","0.0012","90","","97.505","0.003","90","","5431.8","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 N2 O2 S4 -","- C62 H42 N2 O2 S4 -","- C248 H168 N8 O8 S16 -","4","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0805","0.063","","","0.1634","0.1749","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001647","13.414","0.002","14.427","0.002","10.0793","0.0015","90","","92.804","0.009","90","","1948.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 N2 O2 S4 -","- C46 H38 N2 O2 S4 -","- C92 H76 N4 O4 S8 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0754","0.0597","","","0.1133","0.1153","","","","","","2.545","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001648","51.207","0.005","4.3452","0.0005","14.3095","0.0015","90","","101.268","0.002","90","","3122.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cs Se1.02 Te4.98 -","- Bi4 Cs Se1.0245 Te4.9755 -","- Bi32 Cs8 Se8.196 Te39.804 -","8","1","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.0722","0.0514","","","0.135","0.1442","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001649","51.525","0.007","4.3632","0.0006","14.447","0.002","90","","101.399","0.002","90","","3183.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3.55 Cs Sb0.45 Te6 -","- Bi3.5475 Cs Sb0.4525 Te6 -","- Bi28.38 Cs8 Sb3.62 Te48 -","8","1","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.0922","0.0534","","","0.1242","0.1372","","","","","","0.955","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001650","63.677","0.011","4.3157","0.0008","14.387","0.003","90","","101.483","0.002","90","","3874.6","1.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cs0.8 Se0.72 Te5.28 -","- Bi4 Cs0.804 Se0.72 Te5.28 -","- Bi40 Cs8.04 Se7.2 Te52.8 -","10","1.25","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.099","0.0659","","","0.1709","0.1851","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001651","24.006","0.012","4.291","0.002","14.258","0.007","90","","90","","90","","1468.7","1.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi3.75 Cs0.75 Se3.3 Te2.7 -","- Bi3.75 Cs0.75 Se3.31 Te2.69 -","- Bi15 Cs3 Se13.24 Te10.76 -","4","0.5","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.118","0.0537","","","0.1195","0.149","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001659","12.475","0.003","8.2371","0.0016","11.536","0.002","90","","113.73","0.03","90","","1085.2","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(η^7^-cycloheptatrienyl)-(η^5^-methylcyclopentadienyl)-zirconium","","- C13 H14 Zr -","- C13 H14 Zr -","- C52 H56 Zr4 -","4","1","","Niinistö, Jaakko; Hatanpää, Timo; Kariniemi, Maarit; Mäntymäki, Miia; Costelle, Leila; Mizohata, Kenichiro; Kukli, Kaupo; Ritala, Mikko; Leskelä, Markku","Cycloheptatrienyl-Cyclopentadienyl Heteroleptic Precursors for Atomic Layer Deposition of Group 4 Oxide Thin Films","Chemistry of Materials","2012","24","11","2002","","10.1021/cm2030735","","","0.71073","MoKα","","0.0284","0.0234","","","0.0894","0.0988","","","","","","0.88","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001660","9.9965","0.0001","18.7645","0.0002","25.06","0.0003","90","","98.076","0.001","90","","4654.12","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cl7 In3 O8 Sn4 -","- C24 H54 Cl7 In3 O8 Sn4 -","- C96 H216 Cl28 In12 O32 Sn16 -","4","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.0364","0.0296","","","0.0551","0.0565","","","","","","1.21","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001661","11.1655","0.0002","20.1365","0.0004","33.784","0.0006","90","","90","","90","","7595.8","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 In N2 O3 Si4 Sn -","- C24 H63 In N2 O3 Si4 Sn -","- C192 H504 In8 N16 O24 Si32 Sn8 -","8","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.1001","0.0608","","","0.0802","0.088","","","","","","1.147","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001662","34.3847","0.0008","12.4962","0.0002","25.0818","0.0005","90","","95.641","0.002","90","","10724.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.94 H66.37 Cl6.51 In3 O8.49 Sn4 -","- C32.944 H66.374 Cl6.514 In3 O8.486 Sn4 -","- C263.552 H530.992 Cl52.112 In24 O67.888 Sn32 -","8","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.0526","0.031","","","0.0489","0.0524","","","","","","0.942","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001663","22.152","0.004","9.7488","0.0014","17.9625","0.0018","90","","97.127","0.011","90","","3849.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 F4 Ir N4 O6 -","- C34 H25 F4 Ir N4 O6 -","- C136 H100 F16 Ir4 N16 O24 -","4","1","","Marín-Suárez, Marta; Curchod, Basile F. E.; Tavernelli, Ivano; Rothlisberger, Ursula; Scopelliti, Rosario; Jung, Il; Di Censo, Davide; Grätzel, Michael; Fernández-Sánchez, Jorge Fernando; Fernández-Gutiérrez, Alberto; Nazeeruddin, Md. Khaja; Baranoff, Etienne","Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing","Chemistry of Materials","2012","24","12","2330","","10.1021/cm300575z","","","0.71073","MoKα","","0.0596","0.0555","","","0.1321","0.1344","","","","","","1.186","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001664","20.248","0.003","12.5782","0.0014","15.3528","0.001","90","","91.222","0.009","90","","3909.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F10 Ir N3 O4 -","- C32 H14 F10 Ir N3 O4 -","- C128 H56 F40 Ir4 N12 O16 -","4","1","","Marín-Suárez, Marta; Curchod, Basile F. E.; Tavernelli, Ivano; Rothlisberger, Ursula; Scopelliti, Rosario; Jung, Il; Di Censo, Davide; Grätzel, Michael; Fernández-Sánchez, Jorge Fernando; Fernández-Gutiérrez, Alberto; Nazeeruddin, Md. Khaja; Baranoff, Etienne","Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing","Chemistry of Materials","2012","24","12","2330","","10.1021/cm300575z","","","0.71073","MoKα","","0.038","0.031","","","0.0687","0.0714","","","","","","1.158","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001665","13.812","0.003","7.9624","0.0016","6.37","0.0013","90","","90","","90","","700.6","0.3","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 S4 Sn -","- Li4 S4 Sn -","- Li16 S16 Sn4 -","4","0.5","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0531","0.0362","","","0.0801","0.0849","","","","","","0.948","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001666","12.7429","0.0004","12.7429","0.0004","12.7429","0.0004","90","","90","","90","","2069.21","0.11","193","2","193","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- H26 Li4 O13 S4 Sn -","- H20.01 Li4 O13 S4 Sn -","- H80.04 Li16 O52 S16 Sn4 -","4","0.333333","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0328","0.0297","","","0.0739","0.0751","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001667","10.849","0.002","23.029","0.005","14.61","0.003","90","","98.46","0.03","90","","3610.5","1.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H52 Li4 O13 S4 Sn -","- C13 H52 Li4 O13 S4 Sn -","- C52 H208 Li16 O52 S16 Sn4 -","4","1","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0479","0.0294","","","0.0579","0.0597","","","","","","0.802","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001668","21.8","0.003","21.8","0.003","35.407","0.007","90","","90","","90","","16827","5","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C42 H24 Fe3 O16 -","- C42 H24 Fe3 O16 -","- C336 H192 Fe24 O128 -","8","1","","Dan-Hardi, Meenakshi; Chevreau, Hubert; Devic, Thomas; Horcajada, Patricia; Maurin, Guillaume; Férey, Gérard; Popov, Dmitry; Riekel, Christian; Wuttke, Stefan; Lavalley, Jean-Claude; Vimont, Alexandre; Boudewijns, Tom; de Vos, Dirk; Serre, Christian","How Interpenetration Ensures Rigidity and Permanent Porosity in a Highly Flexible Hybrid Solid","Chemistry of Materials","2012","24","13","2486","","10.1021/cm300450x","","","0.9613","synchrotron","","0.1172","0.1017","","","0.2495","0.2663","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001669","9.9755","0.0001","9.9755","0.0001","57.2943","0.0009","90","","90","","120","","4937.55","0.1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag3 In2 Mo15 Se19 -","- Ag2.9874 In2 Mo15 Se19 -","- Ag17.9244 In12 Mo90 Se114 -","6","0.166667","","Gougeon, Patrick; Gall, Philippe; Al Rahal Al Orabi, Rabih; Fontaine, Bruno; Gautier, Régis; Potel, Michel; Zhou, Tong; Lenoir, Bertrand; Colin, Malika; Candolfi, Christophe; Dauscher, Anne","Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19","Chemistry of Materials","2012","24","15","2899","","10.1021/cm3009557","","","0.71073","MoKα","","0.0555","0.0293","","","0.0512","0.0562","","","","1.17","1.17","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001670","20.1749","0.0002","20.1749","0.0002","16.3257","0.0003","90","","90","","90","","6644.99","0.15","296","2","296","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C26 H16 N5 O12 Zn3 -","- C26 H12 N5 O12 Zn3 -","- C104 H48 N20 O48 Zn12 -","4","0.25","","Zhai, Quan-Guo; Lin, Qipu; Wu, Tao; Wang, Le; Zheng, Shou-Tian; Bu, Xianhui; Feng, Pingyun","High CO2and H2Uptake in an Anionic Porous Framework with Amino-Decorated Polyhedral Cages","Chemistry of Materials","2012","24","14","2624","","10.1021/cm301322b","","","0.71073","MoKα","","0.0539","0.0468","","","0.1441","0.1489","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001671","9.7508","0.0002","9.7508","0.0002","7.2153","0.0001","90","","90","","120","","594.108","0.019","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge0.77 La9.33 O26 Si5.23 -","- Ge0.768 La9.3302 O26 Si5.232 -","- Ge0.768 La9.3302 O26 Si5.232 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Ishizawa, Nobuo; Mino, Hiroki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Combined Effect of Germanium Doping and Grain Alignment on Oxide-Ion Conductivity of Apatite-Type Lanthanum Silicate Polycrystal","Chemistry of Materials","2012","24","13","2611","","10.1021/cm301484q","","","0.71073","MoKα","","0.0154","0.0121","","","0.0183","0.0189","","","","1.38","1.38","1.35","","","","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","301811","2025-08-19","19:33:35",""
"4001673","10.8124","0.0005","11.2603","0.0004","17.2799","0.0007","100.994","0.003","95.756","0.004","116.213","0.004","1811.71","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3pmntb","","","- C42 H42 N10 O3 -","- C42 H42 N10 O3 -","- C84 H84 N20 O6 -","2","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu–Ag Metal–Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","0.71073","MoKα","","0.0859","0.0459","","","0.0906","0.0988","","","","","","0.91","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001674","15.7186","0.0007","22.9863","0.001","25.617","0.001","81.312","0.004","77.044","0.004","84.599","0.004","8899.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C354 H315 Cl12 Eu4 N89 O48 -","- C354 H281 Cl12 Eu4 N89 O48 -","- C354 H281 Cl12 Eu4 N89 O48 -","1","0.5","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","1.54178","CuKα","","0.1252","0.0694","","","0.1739","0.1879","","","","","","0.999","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001675","14.2437","0.0003","25.8296","0.0007","27.8391","0.0008","90","","97.592","0.002","90","","10152.5","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H89 Ag3 Cl6 Eu N25 O25 -","- C94 H87 Ag3 Cl6 Eu N25 O25 -","- C376 H348 Ag12 Cl24 Eu4 N100 O100 -","4","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","0.71073","MoKα","","0.1365","0.0733","","","0.1734","0.1936","","","","","","1.006","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001676","14.2458","0.0001","25.8856","0.0002","27.836","0.0002","90","","97.447","0.001","90","","10178.2","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H89 Ag3 Cl6 Gd N25 O25 -","- C94 H87 Ag3 Cl6 Gd N25 O25 -","- C376 H348 Ag12 Cl24 Gd4 N100 O100 -","4","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","1.54178","CuKα","","0.08","0.0662","","","0.2016","0.2096","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001677","10.1767","0.0007","4.9787","0.0004","10.2149","0.0007","90","","115.688","0.002","90","","466.4","0.06","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Trisilver Vanadate, Alpha","","","- Ag3 O4 V -","- Ag3 O4 V -","- Ag12 O16 V4 -","4","0.5","","Cloet, V.; Raw, A.; Poeppelmeier, K. R.; Trimarchi, G.; Peng, H.; Im, J.; Freeman, A.J.; Perry, N. H.; Mason, T. O.; Zakutayev, A.; Ndione, P. F.; Ginley, D. S.; Perkins, J. D.","Structural, Optical, and Transport Properties of α- and β-Ag3VO4","Chemistry of Materials","2012","24","17","3346","","10.1021/cm301119c","","","0.71073","MoKα","","0.0154","0.0151","","","0.0452","0.0454","","","","","","1.26","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001678","4.9795","0.0007","4.9795","0.0007","9.7271","0.0019","90","","90","","90","","241.19","0.07","400","2","400","2","","","","","","","","3","I -4 2 m","I -4 2","121","Trisilver Vanadate, Beta","","","- Ag3 O4 V -","- Ag3 O4 V -","- Ag6 O8 V2 -","2","0.125","","Cloet, V.; Raw, A.; Poeppelmeier, K. R.; Trimarchi, G.; Peng, H.; Im, J.; Freeman, A.J.; Perry, N. H.; Mason, T. O.; Zakutayev, A.; Ndione, P. F.; Ginley, D. S.; Perkins, J. D.","Structural, Optical, and Transport Properties of α- and β-Ag3VO4","Chemistry of Materials","2012","24","17","3346","","10.1021/cm301119c","","","0.71073","MoKα","","0.045","0.0419","","","0.0708","0.0715","","","","","","1.197","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001679","22.13","0.003","22.13","0.003","13.31","0.003","90","","90","","120","","5645.1","1.7","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C144 H48 Co18 O160 -","- C144 H48 Co18 O160.2 -","- C144 H48 Co18 O160.2 -","1","0.0833333","","Hmadeh, Mohamad; Lu, Zheng; Liu, Zheng; Gándara, Felipe; Furukawa, Hiroyasu; Wan, Shun; Augustyn, Veronica; Chang, Rui; Liao, Lei; Zhou, Fei; Perre, Emilie; Ozolins, Vidvuds; Suenaga, Kazu; Duan, Xiangfeng; Dunn, Bruce; Yamamto, Yasuaki; Terasaki, Osamu; Yaghi, Omar M.","New Porous Crystals of Extended Metal-Catecholates","Chemistry of Materials","2012","24","18","3511","","10.1021/cm301194a","","","0.92017","Synchrotronradiation","","0.0844","0.0734","","","0.2048","0.2136","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001680","13.8639","0.0005","13.8639","0.0005","9.3974","0.0006","90","","90","","120","","1564.26","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 S12 -","- Cd3.9999 Cs Ga5.01 S12 -","- Cd11.9997 Cs3 Ga15.03 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0227","0.0217","","","0.0438","0.0441","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001681","13.8071","0.0006","13.8071","0.0006","9.3492","0.0007","90","","90","","120","","1543.51","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb S12 -","- Cd4.0005 Ga4.98 Rb S12 -","- Cd12.0015 Ga14.94 Rb3 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0233","0.0233","","","0.0539","0.0539","","","","","","1.087","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001682","13.7905","0.0005","13.7905","0.0005","9.3304","0.0006","90","","90","","120","","1536.71","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 K S12 -","- Cd3.999 Ga4.98 K S12 -","- Cd11.997 Ga14.94 K3 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0246","0.0242","","","0.0577","0.0578","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001683","12.59","0.002","12.852","0.002","13.984","0.004","90","","107.63","0.02","90","","2156.4","0.8","150","2","150","2","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Ge O8 Si3 -","- Ge1.0155 O8 Si2.9845 -","- Ge8.124 O64 Si23.876 -","8","2","","Yu, Zheng-Bao; Han, Yu; Zhao, Lan; Huang, Shiliang; Zheng, Qi-Yu; Lin, Shuangzheng; Córdova, Armando; Zou, Xiaodong; Sun, Junliang","Intergrown New Zeolite Beta Polymorphs with Interconnected 12-Ring Channels Solved by Combining Electron Crystallography and Single-Crystal X-ray Diffraction","Chemistry of Materials","2012","24","19","3701","","10.1021/cm301654d","","","0.6889","synchrotron","","0.1595","0.1139","","","0.2917","0.3195","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001684","9.5974","0.0017","9.5974","","13.581","0.004","90","","90","","90","","1250.9","0.4","","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- B4 H20 K2 Mg N4 -","- B4 H20 K2 Mg N4 -","- B16 H80 K8 Mg4 N16 -","4","0.25","","Chua, Yong Shen; Li, Wen; Wu, Guotao; Xiong, Zhitao; Chen, Ping","From Exothermic to Endothermic Dehydrogenation – Interaction of Monoammoniate of Magnesium Amidoborane and Metal Hydrides","Chemistry of Materials","2012","24","18","3574","","10.1021/cm301662q","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.16372","","1.31","","","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001685","9.4134","0.0017","9.4134","","12.7221","0.0023","90","","90","","90","","1127.3","0.3","","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- B4 H20 Mg N4 Na2 -","- B4 H20 Mg N4 Na2 -","- B16 H80 Mg4 N16 Na8 -","4","0.25","","Chua, Yong Shen; Li, Wen; Wu, Guotao; Xiong, Zhitao; Chen, Ping","From Exothermic to Endothermic Dehydrogenation ‒ Interaction of Monoammoniate of Magnesium Amidoborane and Metal Hydrides","Chemistry of Materials","2012","24","18","3574","","10.1021/cm301662q","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.13414","","0.97","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001686","17.2723","0.0016","6.7511","0.0007","17.6663","0.0017","90","","115.134","0.006","90","","1865","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl4 N2 O4 Pt -","- C15 H14 Cl4 N2 O4 Pt -","- C60 H56 Cl16 N8 O16 Pt4 -","4","1","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MoKα","","0.0487","0.0343","","0.106","0.085","0.106","","","","","","0.9072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001687","9.1145","0.0004","14.6632","0.0007","15.2749","0.0007","61.445","0.003","82.988","0.003","84.057","0.003","1777.33","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl2 N2 O4 Pt -","- C16 H16 Cl2 N2 O4 Pt -","- C64 H64 Cl8 N8 O16 Pt4 -","4","2","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MolybdenumKα","","0.048","0.031","","0.037","0.034","","","","","1.06","1.06","","","","","has coordinates","194387","2020-10-21","18:00:00",""
"4001688","7.2871","0.0005","11.8947","0.0008","31.3949","0.002","94.642","0.004","90.283","0.004","95.377","0.004","2700.2","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H74 Cl8 N2 O4 Pt -","- C46 H74 Cl8 N2 O4 Pt -","- C92 H148 Cl16 N4 O8 Pt2 -","2","1","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MolybdenumKα","","0.096","0.052","","0.132","0.051","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001689","10.7173","0.0006","10.7173","0.0006","10.7173","0.0006","90","","90","","90","","1230.99","0.12","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 K7.22 Zn18.2 -","- As27.8 K7.222 Zn18.2 -","- As27.8 K7.222 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0204","0.0145","","","0.03","0.0313","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001690","10.7413","0.0006","10.7413","0.0006","10.7413","0.0006","90","","90","","90","","1239.28","0.12","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 Rb7.17 Zn18.2 -","- As27.8 Rb7.166 Zn18.2 -","- As27.8 Rb7.166 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0291","0.0198","","","0.0356","0.0376","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001691","10.7731","0.0008","10.7731","0.0008","10.7731","0.0008","90","","90","","90","","1250.32","0.16","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 Cs6.36 Zn18.2 -","- As27.8 Cs6.358 Zn18.2 -","- As27.8 Cs6.358 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0165","0.0147","","","0.0336","0.0343","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001692","11.3281","0.0005","11.3281","0.0005","11.3281","0.0005","90","","90","","90","","1453.69","0.11","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As28.06 Cd17.94 Cs7.26 -","- As28.076 Cd17.924 Cs7.258 -","- As28.076 Cd17.924 Cs7.258 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0261","0.0212","","","0.0519","0.055","","","","","","1.066","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001693","5.49368","0.00023","5.47408","0.00022","22.0913","0.0008","90","","90","","90","","664.35","0.05","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Cr O14 Ti2 -","- Bi6 Cl Cr O14 Ti2 -","- Bi12 Cl2 Cr2 O28 Ti4 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001694","5.51858","0.00022","5.48512","0.0002","22.18","0.0007","90","","90","","90","","671.39","0.04","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Fe O14 Ti2 -","- Bi6 Cl Fe O14 Ti2 -","- Bi12 Cl2 Fe2 O28 Ti4 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001695","5.515","0.0004","5.4939","0.0004","22.0436","0.0013","90","","90","","90","","667.9","0.08","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Mn O14 Ti2 -","- Bi6 Cl Mn0.99999 O14 Ti2.00001 -","- Bi12 Cl2 Mn1.99998 O28 Ti4.00002 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001696","13.7022","0.0014","20.271","0.002","22.131","0.002","116.461","0.002","94.512","0.002","99.807","0.002","5338.8","0.9","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C58.5 H41 B2 Cl Co N6 O6 S4 -","- C58.5 H41 B2 Cl Co N6 O6 S4 -","- C234 H164 B8 Cl4 Co4 N24 O24 S16 -","4","2","","Liu, Wenjun; Huang, Weijie; Chen, Chun-Hsing; Pink, Maren; Lee, Dongwhan","Charge Injection and Transport in Metal-Containing Conducting Polymers: Spectroelectrochemical Mapping of Redox Activities","Chemistry of Materials","2012","24","18","3650","","10.1021/cm302361p","","","0.71073","MoKα","","0.1526","0.0637","","0.2793","0.1613","0.2793","","","","","","0.9525","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001697","21.843","0.004","16.346","0.003","22.79","0.004","90","","115.921","0.003","90","","7318","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H84 B2 Co N7 O6 S4 -","- C81 H84 B2 Co N7 O6 S4 -","- C324 H336 B8 Co4 N28 O24 S16 -","4","1","","Liu, Wenjun; Huang, Weijie; Chen, Chun-Hsing; Pink, Maren; Lee, Dongwhan","Charge Injection and Transport in Metal-Containing Conducting Polymers: Spectroelectrochemical Mapping of Redox Activities","Chemistry of Materials","2012","24","18","3650","","10.1021/cm302361p","","","0.71073","MoKα","","0.1332","0.0841","","","0.1988","0.2292","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001698","13.4677","0.0004","26.8557","0.0005","11.116","0.0005","90","","90","","90","","4020.5","0.2","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H43 La3 O40 P4 -","- C8 La3 O40 P4 -","- C32 La12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","Cuka","","","","","","","","0.13667","","3.49","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001699","13.36042","0.00033","26.282","0.0008","11.26679","0.00032","90","","90","","90","","3956.2","0.19","293","","293","","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C8 H43 La3 O40 P4 -","- C8 La3 O40 P4 -","- C32 La12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0621","","1.81","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001700","13.4033","0.0005","26.6912","0.001","11.0963","0.0005","90","","90","","90","","3969.7","0.3","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H43 Ce3 O40 P4 -","- C8 Ce3 O40 P4 -","- C32 Ce12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.06693","","1.78","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001701","13.0433","0.0002","25.7014","0.0003","11.0757","0.0001","90","","90","","90","","3712.92","0.08","100","2","100","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C8 H36 Gd3 O36 P4 -","- C8 H8 Gd3 O32 P4 -","- C32 H32 Gd12 O128 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","","","0.71073","MoKα","","0.0253","0.0233","","","0.0608","0.0617","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001702","12.88625","0.00005","6.42081","0.00002","10.62842","0.00004","90","","90","","90","","879.397","0.005","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F2 K2 Ni2 O8 S2 -","- F2 K2 Ni2 O8 S2 -","- F8 K8 Ni8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","5.9665","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001703","13.05136","0.00003","6.496875","0.000017","10.71796","0.00003","90","","90","","90","","908.809","0.004","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Co2 F2 K2 O8 S2 -","- Co2 F2 K2 O8 S2 -","- Co8 F8 K8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","2.2305","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001704","13.15116","0.00003","6.539302","0.000014","10.86887","0.00003","90","","90","","90","","934.716","0.004","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F2 Fe2 K2 O8 S2 -","- F2 Fe2 K2 O8 S2 -","- F8 Fe8 K8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","2.637","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001705","11.2503","0.0006","11.2531","0.0005","22.2884","0.0014","90","","97.26","0.005","90","","2799.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs2 Hg2 In2 S6 -","- Cs2 Hg2 In2 S6 -","- Cs16 Hg16 In16 S48 -","8","1","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Jin, Hosub; Morris, Collin D.; Zhao, Lidong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsHgInS3: a New Quaternary Semiconductor for γ-ray Detection","Chemistry of Materials","2012","24","22","4434","","10.1021/cm302838v","","","0.71073","MoKα","","0.1371","0.0777","","","0.1624","0.1852","","","","","","1.125","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001706","9.186","0.002","11.811","0.004","17.1785","0.001","90","","102.432","0.004","90","","1820.1","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,2-bis(butylselanyl)ethane)tetrachlorotin(IV)","","- C10 H22 Cl4 Se2 Sn -","- C10 H22 Cl4 Se2 Sn -","- C40 H88 Cl16 Se8 Sn4 -","4","0.5","","de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian","Highly Selective Chemical Vapor Deposition of Tin Diselenide Thin Films onto Patterned Substrates via Single Source Diselenoether Precursors","Chemistry of Materials","2012","24","22","4442","","10.1021/cm302864x","","","0.71073","MoKα","","0.0402","0.0336","","","0.0753","0.0794","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001707","18.912","0.0003","18.912","0.0003","18.912","0.0003","90","","90","","90","","6764.14","0.19","293","2","293","2","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","","","- C72 H48 Cu12 I12 N12 O29 Zn8 -","- C72 H48 Cu12 I12 N12 O29 Zn8 -","- C144 H96 Cu24 I24 N24 O58 Zn16 -","2","0.0833333","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.1171","0.0821","","","0.2199","0.245","","","","","","1.141","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001708","28.751","0.0008","18.0562","0.0004","16.7272","0.0005","90","","90","","90","","8683.7","0.4","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C18 H18 Cu4 I4 N6 O4 Zn -","- C18 H18 Cu4 I4 N6 O4 Zn -","- C144 H144 Cu32 I32 N48 O32 Zn8 -","8","","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.0586","0.0468","","","0.1439","0.1515","","","","","","1.099","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001709","18.0043","0.0008","21.1164","0.0009","18.1594","0.0014","90","","93.344","0.005","90","","6892.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cu4 I4 Mn2 N5 O11 -","- C27 H24 Cu4 I4 Mn2 N5 O11 -","- C108 H96 Cu16 I16 Mn8 N20 O44 -","4","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.1141","0.0577","","","0.1308","0.1479","","","","","","0.86","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001710","11.728","0.006","5.7953","0.0013","24.755","0.006","89.999","0.003","102.881","0.003","89.95","0.003","1640.2","1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- Bi26 Mo10 O69 -","- Bi26 Mo10 O69 -","- Bi26 Mo10 O69 -","1","0.5","","Ling, Chris D.; Miiller, Wojciech; Johnson, Mark R.; Richard, Didier; Rols, Stéphane; Madge, Jim; Evans, Ivana R.","Local Structure, Dynamics, and the Mechanisms of Oxide Ionic Conduction in Bi26Mo10O69","Chemistry of Materials","2012","24","23","4607","","10.1021/cm303202r","","","0.6889","MoKα","","0.0707","0.0638","","0.1314","0.1309","0.1297","","","","","","0.9348","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001711","9.721","0.0001","9.721","0.0001","7.1867","0.0001","90","","90","","120","","588.142","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.33 O26 Si6 -","- La9.3336 O26 Si6 -","- La9.3336 O26 Si6 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Oyabu, Masayuki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Apatite-Type Lanthanum Silicate with Excess Oxide Ions","Chemistry of Materials","2012","24","23","4623","","10.1021/cm3034643","","","0.71073","MoKα","","0.0145","0.0126","","","0.0186","0.0192","","","","1.26","1.26","1.24","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001712","9.7136","0.0001","9.7136","0.0001","7.1814","0.0001","90","","90","","120","","586.814","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.5 O26.26 Si6 -","- La9.5044 O26.2568 Si6 -","- La9.5044 O26.2568 Si6 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Oyabu, Masayuki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Apatite-Type Lanthanum Silicate with Excess Oxide Ions","Chemistry of Materials","2012","24","23","4623","","10.1021/cm3034643","","","0.71073","MoKα","","0.0412","0.0204","","","0.0202","0.0226","","","","1.09","1.09","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001960","12.255","0.003","14.877","0.003","16.037","0.003","90.02","0.03","94.3","0.03","94.75","0.03","2905.5","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H54 Cl6 N2 O8 -","- C72 H54 Cl6 N2 O8 -","- C144 H108 Cl12 N4 O16 -","2","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.081","0.0578","","","0.1508","0.1687","","","","","","1.045","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001961","12.466","0.003","14.607","0.003","17.777","0.006","90","","122.27","0.02","90","","2737","1.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N O4 -","- C36 H29 N O4 -","- C144 H116 N4 O16 -","4","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.0509","0.0391","","","0.091","0.0951","","","","","","0.911","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001962","9.756","0.002","13.361","0.003","15.794","0.003","104.18","0.03","103.41","0.03","100.78","0.03","1875.6","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Cl12 N2 O8 -","- C74.2 H56 N2 O8 -","- C74.2 H56 N2 O8 -","1","0.5","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.4862","0.4538","","","0.7954","0.8236","","","","","","3.588","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001963","13.507","0.004","14.759","0.005","15.313","0.005","110.149","0.007","90.272","0.004","91.206","0.004","2865","1.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H48 Cl6 N2 O8 -","- C69 H48 Cl6 N2 O8 -","- C138 H96 Cl12 N4 O16 -","2","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.7107","MoKα","","0.1003","0.0709","","","0.1843","0.2066","","","","","","1.058","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001964","14.759","0.004","22.637","0.006","10.135","0.003","90","","94.415","0.004","90","","3376.1","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H52 Cl12 N2 O8 -","- C72 H50 Cl12 N2 O8 -","- C144 H100 Cl24 N4 O16 -","2","0.5","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.0997","0.0888","","","0.2489","0.2612","","","","","","1.035","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001965","26.823","0.008","8.243","0.002","27.085","0.008","90","","108.789","0.005","90","","5669","3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H51 Cl3 N2 O8 -","- C70 H51 Cl3 N2 O8 -","- C280 H204 Cl12 N8 O32 -","4","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.1135","0.0841","","","0.1603","0.173","","","","","","1.185","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001966","7.5434","0.0002","14.826","0.0003","7.8284","0.0002","90","","90","","90","","875.52","0.04","94","2","94","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.25 Gd4.75 Ge4 -","- Eu0.25 Gd4.75 Ge4 -","- Eu Gd19 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0503","0.0353","","","0.0675","0.0721","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001967","7.5993","0.0006","15.2558","0.0015","8.0218","0.0006","90","","90","","90","","929.99","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Gd4 Ge4 -","- Eu Gd4 Ge4 -","- Eu4 Gd16 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0819","0.0381","","","0.043","0.049","","","","","","0.889","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001968","7.676","0.0004","14.7819","0.0008","7.7738","0.0003","90","","90","","90","","882.06","0.07","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0315","0.0211","","","0.0308","0.0324","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001969","7.5669","0.0008","14.9047","0.0015","7.8648","0.0008","90","","90","","90","","887.01","0.16","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.5 Gd4.5 Ge4 -","- Eu0.5 Gd4.5 Ge4 -","- Eu2 Gd18 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0319","0.0249","","","0.0479","0.0503","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001970","7.6327","0.0012","14.909","0.0019","7.8481","0.0007","90","","90","","92.976","0.012","891.9","0.2","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Eu0.5 Gd4.5 Ge4 -","- Eu0.5 Gd4.5 Ge4 -","- Eu2 Gd18 Ge16 -","4","1","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.1343","0.0468","","","0.0559","0.073","","","","","","0.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001971","7.6781","0.0006","14.8416","0.0014","7.7797","0.0007","90","","90","","90","","886.54","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.25 Gd4.75 Ge4 -","- Eu0.25 Gd4.75 Ge4 -","- Eu Gd19 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0649","0.0386","","","0.0515","0.0555","","","","","","0.96","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4031243","8.24","","12.05","","9.14","","90","","90","","90","","907.529","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","K2 (Sn Cl3) Cl (H2 O)","","- Cl4 H2 K2 O Sn -","- Cl4 K2 O Sn -","- Cl16 K8 O4 Sn4 -","4","0.5","","Kamenar, B.; Grdenic, D.","The crystal structure of potassium chloride trichlorostannite hydrate, K Cl K Sn Cl3 H2 O","Journal of Inorganic and Nuclear Chemistry","1962","24","","1039","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031648","3.437","","3.437","","19.21","","90","","90","","120","","196.525","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se6 Ta3 -","3","0.0833333","","Brixner, L.H.","Preparation and properties of the single crystalline AB2-type selenides and tellurides of niobium, tantalum, molybdenum and tungsten","Journal of Inorganic and Nuclear Chemistry","1960","24","","257","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031687","5.6","","5.6","","5.6","","90","","90","","90","","175.616","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Pr U S2","","- Pr S2 U -","- Pr S2 U -","- Pr2 S4 U2 -","2","0.0104167","","Slovyanskikh, V.K.; Kuznetsov, N.T.; Gracheva, N.V.","The Pr-S-U System","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1979","24","","1729","1731","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4060022","8.73","0.004","14.057","0.007","16.033","0.008","90","","100.229","0.006","90","","1936.26","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C19 H25 F3 N2 O Pd -","- C76 F12 N8 O4 Pd4 -","- C76 F12 N8 O4 Pd4 -","","","","Kohtaro Osakada; Hiroyuki Onodera; Yasushi Nishihara","Diarylpalladium Complexes with a Cis Structure. Formation via Transmetalation of Arylboronic Acids with an Aryliodopalladium Complex and Intramolecular Coupling of the Aryl Ligands, Affording Unsymmetrical Biaryls","Organometallics","2005","24","","190","192","10.1021/om049217i","","","","","","","","","","","","","","","","","","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060023","9.033","0.003","24.752","0.008","13.027","0.004","90","","104.991","0.006","90","","2813.6","1.6","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","[Cu2I2(PCP)]","","","- C53 H48 Cl4 Cu2 Fe2 I2 N2 P2 -","- C52.966 H47.932 Cl3.932 Cu2 Fe2 I2 N2 P2 -","- C105.932 H95.864 Cl7.864 Cu4 Fe4 I4 N4 P4 -","2","1","","Sebastian Gischig; Antonio Togni","A Dinuclear Copper(I) Complex Containing a Bridging Chiral Tridentate Carbene Ligand","Organometallics","2005","24","","203","205","10.1021/om049097e","","x-ray","0.71073","MoKα","","0.0436","0.0395","","","0.1012","0.1041","","","","","","1.016","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060024","10.0724","0.0014","11.2094","0.0017","13.6356","0.0019","86.868","0.011","71.156","0.01","80.829","0.01","1438.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Br2 Cl2 Co F6 N3 -","- C24 H19 Br2 Cl2 Co F6 N3 -","- C48 H38 Br4 Cl4 Co2 F12 N6 -","2","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.0887","0.0465","","","0.0952","0.1075","","","","","","0.968","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060025","15.8359","0.0019","18.0027","0.0018","20.0598","0.0017","90","","90","","90","","5718.8","1","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H17 Br2 Cl2 Co F8 N3 -","- C24 H17 Br2 Cl2 Co F8 N3 -","- C192 H136 Br16 Cl16 Co8 F64 N24 -","8","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.1051","0.0522","","","0.1007","0.114","","","","","","0.962","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060026","15.3156","0.0011","11.2916","0.0016","15.7652","0.0014","90","","97.315","0.007","90","","2704.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H16 Br2 Cl Co F8 N3 -","- C23.5 H16 Br2 Cl Co F8 N3 -","- C94 H64 Br8 Cl4 Co4 F32 N12 -","4","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","1.54178","CuKα","","0.0727","0.055","","","0.1389","0.1494","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060027","15.1794","0.0012","11.3447","0.0006","15.9514","0.0012","90","","98.358","0.007","90","","2717.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H18 Br2 Co F8 N3 O0.5 -","- C24.5 H18 Br2 Co F8 N3 O0.5 -","- C98 H72 Br8 Co4 F32 N12 O2 -","4","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","1.54178","CuKα","","0.0665","0.0458","","","0.1041","0.1117","","","","","","1.032","","","","has coordinates,has disorder","301829","2025-08-20","12:17:33",""
"4060028","10.0756","0.0006","11.2235","0.0003","13.7022","0.0006","87.189","0.003","71.191","0.004","81.496","0.004","1450.62","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Br2 Cl2 F6 Fe N3 -","- C24 H19 Br2 Cl2 F6 Fe N3 -","- C48 H38 Br4 Cl4 F12 Fe2 N6 -","2","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","1.54178","CuKα","","0.0539","0.0412","","","0.0976","0.103","","","","","","1.044","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060029","15.962","0.003","17.976","0.003","20.154","0.002","90","","90","","90","","5782.7","1.6","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H17 Br2 Cl2 F8 Fe N3 -","- C24 H17 Br2 Cl2 F8 Fe N3 -","- C192 H136 Br16 Cl16 F64 Fe8 N24 -","8","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.1116","0.0513","","","0.0884","0.1019","","","","","","0.966","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060030","13.382","0.006","13.436","0.006","14.294","0.007","89.879","0.008","79.459","0.008","74.784","0.007","2435","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Hexakis[3-(trichlorosilyl)propyl]benzene","Hexakis[3-(trichlorosilyl)propyl]benzene","","- C24 H36 Cl18 Si6 -","- C24 H36 Cl18 Si6 -","- C48 H72 Cl36 Si12 -","2","1","","Kyung Mi Kim; Jeong Hyun Kim; Do Hyun Moon; Myoung Soo Lah; Il Nam Jung; Bok Ryul Yoo","Friedel-Crafts Peralkylation of Benzene with -Chloroalkyltrichlorosilanes: One-Pot Synthesis of Polyfunctionalized Hexakis[-(trichlorosilyl)alkyl]benzenes","Organometallics","2005","24","","226","230","10.1021/om0495933","","","0.71073","MoKα","","0.1773","0.1319","","","0.346","0.3743","","","","","","1.074","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060031","27.0551","0.0008","17.845","0.0005","19.0419","0.0008","90","","95.537","0.001","90","","9150.5","0.5","150","","150","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","[ScCl{(2-C5H4N)CH2N{2-O-3,5-C6H2(t-Bu)2}2}(py)] . (C6H6)","","- C47 H61 Cl N3 O2 Sc -","- C47 H61 Cl N3 O2 Sc -","- C376 H488 Cl8 N24 O16 Sc8 -","8","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0667","","","","0.0882","","","","","","1.0632","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060032","11.7034","0.0001","12.0006","0.0001","18.5464","0.0002","89.9518","0.0006","84.0259","0.0006","88.0933","0.0005","2589.21","0.04","150","","150","","","","","","","","?","6","P -1","-P 1","2","","[Sc2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2Me2)}2}2Cl2] . 2(CH2Cl2)","","- C50 H56 Cl6 N4 O4 Sc2 -","- C50 H56 Cl6 N4 O4 Sc2 -","- C100 H112 Cl12 N8 O8 Sc4 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","0.0579","0.0387","","0.0456","0.0398","0.0398","","","","","","1.0799","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060033","14.4214","0.0003","17.2881","0.0003","22.0078","0.0006","107.267","0.0006","106.516","0.0007","91.0214","0.0008","4992.1","0.2","150","","150","","","","","","","","?","6","P -1","-P 1","2","","[Y{(2-C5H4N)CH2N{2-O-3,5-C6H2(t-Bu)2}2}(py)(mu-Cl)]2 . 3 C6H6","","- C100 H128 Cl2 N6 O4 Y2 -","- C100 H128 Cl2 N6 O4 Y2 -","- C200 H256 Cl4 N12 O8 Y4 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0762","","","","0.0629","","","","","","0.9891","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060034","27.2581","0.0005","13.1736","0.0003","24.6155","0.0007","90","","122.04","0.0009","90","","7492.7","0.3","150","","150","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","[Ti{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2(t-Bu)2)}2}Cl2] . 0.5(CH2Cl2)","","- C36.5 H51 Cl3 N2 O2 Ti -","- C36.5 H51 Cl3 N2 O2 Ti -","- C292 H408 Cl24 N16 O16 Ti8 -","8","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","0.1096","0.0698","","0.1139","0.0842","0.0842","","","","","","0.9424","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060035","15.7447","0.0007","9.0987","0.0004","24.7923","0.0016","90","","92.451","0.0023","90","","3548.4","","150","","150","","","","","","","","[TiCl4(THF)2] + K2[{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2Me2)}2]","6","P 1 21/n 1","-P 2yn","14","","[TiCl2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2Me2)}2] . 2.5(C6H6)","","- C39 H41 Cl2 N2 O2 Ti -","- C39 H41 Cl2 N2 O2 Ti -","- C156 H164 Cl8 N8 O8 Ti4 -","4","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0581","","","0.0641","","","","","0.5458","0.5458","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060036","10.1066","0.0003","10.1244","0.0003","19.602","0.0008","104.228","0.001","97.719","0.001","95.997","0.002","1906.8","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ti{(2-C5H4N)CH2N{2-O-3,5-C6H3(t-Bu)2}2}(NMe2)2]","","- C40 H62 N4 O2 Ti -","- C40 H62 N4 O2 Ti -","- C80 H124 N8 O4 Ti2 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0528","","","","0.048","","","","","","0.9979","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060037","10.905","0.0002","15.6222","0.0003","16.7849","0.0004","98.2396","0.0007","106.521","0.0008","102.924","0.0009","2605.6","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ti(N-t-Bu){(2-C5H4N)CH2N{2-O-3,5-C6H3(t-Bu)2}2}(py)]","","- C57 H76 N4 O2 Ti -","- C57 H76 N4 O2 Ti -","- C114 H152 N8 O4 Ti2 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0668","","","","0.0725","","","","","","1.0118","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060038","13.455","0.0002","15.6131","0.0002","20.7997","0.0003","95.4649","0.0005","96.8717","0.0006","113.96","0.0006","3914.1","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ti2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2(t-Bu)2)}2}2(mu-O)2] . 3(CH2Cl2)","","- C75 H106 Cl6 N4 O6 Ti2 -","- C75 H106 Cl6 N4 O6 Ti2 -","- C150 H212 Cl12 N8 O12 Ti4 -","2","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","0.1069","0.0479","","0.088","0.052","0.052","","","","","","0.8473","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060039","13.0792","0.0002","34.8093","0.0003","11.2256","0.0002","90","","112.215","0.0004","90","","4731.4","","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H72 N3 O2 Ti -","- C49 H72 N3 O2 Ti -","- C196 H288 N12 O8 Ti4 -","4","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.038","","","","0.0408","","","","","","1.0704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060040","11.4403","0.0002","16.7426","0.0002","25.1924","0.0003","90","","90.977","0.0006","90","","4824.7","","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H73 N3 O2 Ti -","- C50 H73 N3 O2 Ti -","- C200 H292 N12 O8 Ti4 -","4","1","","Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford","Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives","Organometallics","2005","24","","309","330","10.1021/om0493661","","","0.71073","MoKα","","","0.0415","","","","0.0489","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060041","6.3568","0.0012","12.5627","0.0016","14.658","0.002","90","","94.75","0.014","90","","1166.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Mo N O2 S -","- C12 H9 Mo N O2 S -","- C48 H36 Mo4 N4 O8 S4 -","4","1","","Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg","Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS)","Organometallics","2005","24","","266","271","10.1021/om040112p","","","0.71073","MoKα","","0.0349","0.0261","","","0.0707","0.0736","","","","","","1.046","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060042","10.68","0.002","12.0922","0.0018","15.335","0.002","90","","90","","90","","1980.5","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Mn Mo N2 O4 S2 -","- C19 H13 Mn Mo N2 O4 S2 -","- C76 H52 Mn4 Mo4 N8 O16 S8 -","4","1","","Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg","Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS)","Organometallics","2005","24","","266","271","10.1021/om040112p","","","0.71073","MoKα","","0.0318","0.0255","","","0.0615","0.0632","","","","","","1.047","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060043","13.223","0.0005","16.7951","0.0005","9.5772","0.0003","90","","95.2087","0.0011","90","","2118.14","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Mo3 N O2 S2 -","- C22 H19 Mo3 N O2 S2 -","- C88 H76 Mo12 N4 O8 S8 -","4","1","","Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg","Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS)","Organometallics","2005","24","","266","271","10.1021/om040112p","","","0.71073","MoKα","","0.0677","0.0366","","","0.0649","0.0727","","","","","","0.968","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060044","9.41","0.0002","12.665","0.0003","23.347","0.0005","90","","94.01","0.0014","90","","2775.63","0.11","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl4 N2 O4 Ti -","- C24 H32 Cl4 N2 O4 Ti -","- C96 H128 Cl16 N8 O16 Ti4 -","4","1","","Sharon Segal; Israel Goldberg; Moshe Kol","Zirconium and Titanium Diamine Bis(phenolate) Catalysts for -Olefin Polymerization: From Atactic Oligo(1-hexene) to Ultrahigh-Molecular-Weight Isotactic Poly(1-hexene)","Organometallics","2005","24","","200","202","10.1021/om049556b","","","0.71073","MoKα","","0.0792","0.0474","","","0.1138","0.1297","","","","","","1.028","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060045","17.281","0.004","10.375","0.002","19.912","0.004","90","","90","","90","","3570.3","1.3","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 Cl N2 Ni -","- C18 H23 Cl N2 Ni -","- C144 H184 Cl8 N16 Ni8 -","8","1","","Hong M. Sun; Qing Shao; Dong M. Hu; Wan F. Li; Qi Shen; Yong Zhang","Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via Indene Elimination and Catalytic Activity for Ethylene Dimerization","Organometallics","2005","24","","331","334","10.1021/om049334d","","","0.7107","MoKα","","","0.035","","","","0.049","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060046","11.25","0.002","10.887","0.002","14.63","0.002","90","","98.458","0.003","90","","1772.5","0.5","193.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Br N2 Ni -","- C18 H23 Br N2 Ni -","- C72 H92 Br4 N8 Ni4 -","4","1","","Hong M. Sun; Qing Shao; Dong M. Hu; Wan F. Li; Qi Shen; Yong Zhang","Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via Indene Elimination and Catalytic Activity for Ethylene Dimerization","Organometallics","2005","24","","331","334","10.1021/om049334d","","","0.7107","MoKα","","","0.042","","","","0.098","","","","","","1.001","","","","has coordinates","190337","2020-10-21","18:00:00",""
"4060047","13.2481","0.006","17.5912","0.0077","21.3164","0.0097","90","0.002","100.609","0.003","90","0.002","4882.9","0.3","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 Ge3 Si8 -","- C32 H80 Ge3 Si8 -","- C128 H320 Ge12 Si32 -","4","1","","Takeaki Iwamoto; Hidenori Masuda; Chizuko Kabuto; Mitsuo Kira","Trigermaallene and 1,3-Digermasilaallene","Organometallics","2005","24","","197","199","10.1021/om049183e","","","0.7107","MoKα","","","0.0893","","","","0.189","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060048","24.732","0.007","11.512","0.003","18.119","0.006","90","0.001","107.412","0.001","90","0.001","4922","3","223","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H80 Ge2 Si9 -","- C32 H80 Ge2 Si9 -","- C128 H320 Ge8 Si36 -","4","0.5","","Takeaki Iwamoto; Hidenori Masuda; Chizuko Kabuto; Mitsuo Kira","Trigermaallene and 1,3-Digermasilaallene","Organometallics","2005","24","","197","199","10.1021/om049183e","","","0.7107","MoKα","","","0.0465","","","","0.1125","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060049","16.571","0.002","15.024","0.002","34.088","0.004","90","","96.519","0.006","90","","8431","1","153.2","","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C147 H158 Hg2 N6 P6 Pt6 -","- C147 H144 Hg2 N6 P6 Pt6 -","- C294 H288 Hg4 N12 P12 Pt12 -","2","0.5","","Tomoaki Tanase; Eri Goto; Hiroe Takenaka; Takashi Horiuchi; Yasuhiro Yamamoto; Junpei Kuwabara; Kohtaro Osakada","Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and Isocyanide Ligands Encapsulating Two Mercury(0) Atoms","Organometallics","2005","24","","234","244","10.1021/om049251x","","","0.7107","MoKα","","","0.0789","","","","0.2431","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060050","38.202","0.004","14.8735","0.0011","30.618","0.003","90","","115.632","0.0011","90","","15685","2.6","153.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H150 Hg2 N6 P6 Pt6 -","- C144 H150 Hg2 N6 P6 Pt6 -","- C576 H600 Hg8 N24 P24 Pt24 -","4","0.5","","Tomoaki Tanase; Eri Goto; Hiroe Takenaka; Takashi Horiuchi; Yasuhiro Yamamoto; Junpei Kuwabara; Kohtaro Osakada","Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and Isocyanide Ligands Encapsulating Two Mercury(0) Atoms","Organometallics","2005","24","","234","244","10.1021/om049251x","","","0.7107","MoKα","","","0.084","","","","0.089","","","","","","1.183","","","","has coordinates","277847","2022-09-14","22:28:02",""
"4060051","14.8858","0.0008","15.2745","0.0007","23.2773","0.0009","93.889","0.001","101.819","0.002","111.113","0.002","4774.2","0.4","153.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C111 H117 Hg P6 Pt2 -","- C111 H117 Hg P6 Pt2 -","- C222 H234 Hg2 P12 Pt4 -","2","1","","Tomoaki Tanase; Eri Goto; Hiroe Takenaka; Takashi Horiuchi; Yasuhiro Yamamoto; Junpei Kuwabara; Kohtaro Osakada","Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and Isocyanide Ligands Encapsulating Two Mercury(0) Atoms","Organometallics","2005","24","","234","244","10.1021/om049251x","","","0.7107","MoKα","","","0.0328","","","","0.0659","","","","","","1.004","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060052","14.2299","0.0001","15.8221","0.0002","17.9834","0.0002","69.791","0.001","89.882","0.001","87.044","0.001","3794.06","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H53 Cl3 N O2 P2 Re -","- C37.5 H53 Cl2.99 N O2 P2 Re -","- C150 H212 Cl11.96 N4 O8 P8 Re4 -","4","2","","Sandra Eichenseher; Olivier Delacroix; Klemenz Kromm; Frank Hampel; J. A. Gladysz","Rhenium-Containing Phosphorus Donor Ligands for Palladium-Catalyzed Suzuki Cross-Coupling Reactions: A New Strategy for High-Activity Systems","Organometallics","2005","24","","245","255","10.1021/om0492956","","","0.71073","MoKα","","0.0577","0.0442","","","0.125","0.1377","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060053","9.3511","0.0003","25.5777","0.0004","13.0351","0.0003","90","","105.255","0.0009","90","","3007.88","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N O P2 Re -","- C32 H40 N O P2 Re -","- C128 H160 N4 O4 P8 Re4 -","4","1","","Sandra Eichenseher; Olivier Delacroix; Klemenz Kromm; Frank Hampel; J. A. Gladysz","Rhenium-Containing Phosphorus Donor Ligands for Palladium-Catalyzed Suzuki Cross-Coupling Reactions: A New Strategy for High-Activity Systems","Organometallics","2005","24","","245","255","10.1021/om0492956","","","0.71073","MoKα","","0.0407","0.0325","","","0.089","0.0981","","","","","","1.118","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060054","12.5659","0.0009","20.5264","0.0014","14.4656","0.001","90","","90.192","0.001","90","","3731.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 Cr2 N O13 -","- C38 H29 Cr2 N O13 -","- C152 H116 Cr8 N4 O52 -","4","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.0827","0.047","","","0.0978","0.1086","","","","","","0.878","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060055","11.1571","0.0009","13.699","0.0011","11.3873","0.001","90","","113.103","0.002","90","","1600.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 N O9 W -","- C32.7 H29 N O9 W -","- C65.4 H58 N2 O18 W2 -","2","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.0804","0.0519","","","0.1181","0.1752","","","","","","0.912","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060056","7.4353","0.0007","12.1255","0.0011","12.5732","0.0012","65.069","0.002","82.996","0.002","79.906","0.002","1010.55","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N O7 W -","- C20 H15 N O7 W -","- C40 H30 N2 O14 W2 -","2","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.0757","0.0719","","","0.1744","0.1776","","","","","","1.037","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060057","38.242","0.009","7.1774","0.0017","17.705","0.004","90","","92.733","0.005","90","","4854.1","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C224 H232 N8 O40 -","8","1","","Jinzhu Chen; Zhengkun Yu; Zhaoyan Zheng; Kaichun Gu; Sizhong Wu; Fanlong Zeng; Weiqiang Tan; Xiaowei Wu; Wenjing Xiao","Chemoselective Stepwise Demetalation of Unusually Stable Fischer Biscarbene Complexes by Domino [4+2]/[2+2] Cycloaddition of 2-Isopropenyl-2-oxazoline to 1-Alkynyl Fischer Carbene Complexes of Chromium and Tungsten","Organometallics","2005","24","","302","308","10.1021/om049213d","","","0.71073","MoKα","","0.1657","0.0583","","","0.1318","0.1543","","","","","","0.707","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060058","8.68","0.002","11.311","0.001","14.041","0.002","89.14","0.01","87.76","0.01","67.47","0.01","1272.4","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 P2 Zr -","- C24 H42 P2 Zr -","- C48 H84 P4 Zr2 -","2","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0827","0.0664","","","0.2153","0.2466","","","","","","1.112","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060059","14.049","0.001","21.756","0.001","11.484","0.001","90","","104.75","0.01","90","","3394.4","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Cl2 P2 Zr -","- C34 H52 Cl2 P2 Zr -","- C136 H208 Cl8 P8 Zr4 -","4","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0723","0.0473","","","0.1017","0.1137","","","","","","1.03","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060060","24.97","0.001","12.621","0.001","28.554","0.001","90","","90","","90","","8998.7","0.9","198","2","198","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H46 O P3 Rh Zr -","- C54 H46 O P3 Rh Zr -","- C432 H368 O8 P24 Rh8 Zr8 -","8","2","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0901","0.051","","","0.0817","0.0937","","","","","","1.012","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060061","24.693","0.001","17.604","0.001","8.137","0.001","90","","96.65","0.01","90","","3513.3","0.5","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Cl6 P2 Zr -","- C28 H48 Cl6 P2 Zr -","- C112 H192 Cl24 P8 Zr4 -","4","0.5","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0279","0.0239","","","0.0611","0.063","","","","","","1.072","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060062","10.269","0.001","14.541","0.001","23.755","0.001","90","","99.39","0.01","90","","3499.6","0.4","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 P2 Zr -","- C36 H58 P2 Zr -","- C144 H232 P8 Zr4 -","4","0.5","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0402","0.0312","","","0.072","0.0768","","","","","","1.023","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060063","9.36","0.001","12.047","0.001","14.23","0.001","101.32","0.01","97.43","0.01","103.58","0.01","1503.3","0.2","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl2 P2 Zr -","- C34 H28 Cl2 P2 Zr -","- C68 H56 Cl4 P4 Zr2 -","2","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0879","0.0544","","","0.0889","0.1009","","","","","","1.017","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060064","8.656","0.001","20.384","0.001","14.203","0.001","90","","93.21","0.01","90","","2502.1","0.4","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Cl2 P2 Zr -","- C22 H36 Cl2 P2 Zr -","- C88 H144 Cl8 P8 Zr4 -","4","0.5","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0398","0.0297","","","0.0623","0.0652","","","","","","1.05","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060065","33.117","0.001","15.246","0.001","21.888","0.001","90","","130.74","0.01","90","","8373.3","0.7","198","2","198","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H63 O2 P2 Rh Zr -","- C44 H63 O2 P2 Rh Zr -","- C352 H504 O16 P16 Rh8 Zr8 -","8","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0918","0.0497","","","0.1037","0.1177","","","","","","1.035","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060066","34.575","0.001","10.989","0.001","23.485","0.001","90","","109.66","0.01","90","","8402.8","0.9","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 Cl2 O P2 Rh Zr -","- C43 H63 Cl2 O P2 Rh Zr -","- C344 H504 Cl16 O8 P16 Rh8 Zr8 -","8","2","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0678","0.04","","","0.0779","0.0864","","","","","","1.023","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060067","9.29","0.001","11.545","0.001","14.362","0.001","98.04","0.01","97.7","0.01","112.41","0.01","1380.2","0.2","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl2 O P2 Rh Zr -","- C24 H39 Cl2 O P2 Rh Zr -","- C48 H78 Cl4 O2 P4 Rh2 Zr2 -","2","1","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0311","0.0267","","","0.0654","0.0677","","","","","","1.01","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060068","13.9741","0.0011","14.7942","0.0011","21.7661","0.0017","90","","107.511","0.001","90","","4291.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 B F15 Zr -","- C51 H38 B F15 Zr -","- C204 H152 B4 F60 Zr4 -","4","1","","Abdulaziz Al-Humydi; Jered C. Garrison; Wiley J. Youngs; Scott Collins","Propene Polymerization Using ansa-Metallocenium Ions: Excess Activator Effects on Polymerization Activity and Polymer Microstructure","Organometallics","2005","24","","193","196","10.1021/om0492092","","x-ray","0.71073","MoKα","","0.0526","0.0422","","","0.1117","0.1177","","","","","","1.029","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060069","9.9387","0.0003","11.9818","0.0003","14.1601","0.0005","113.074","0.001","90.262","0.001","112.983","0.001","1403.25","0.07","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 N Ni O4 P -","- C31 H34 N Ni O4 P -","- C62 H68 N2 Ni2 O8 P2 -","2","1","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.1047","0.0752","","","0.1714","0.1848","","","","","","1.094","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060070","17.379","0.0012","17.379","0.0012","10.6941","0.0006","90","","90","","90","","3229.9","0.4","183","2","183","2","","","","","","","","5","I -4","I -4","82","","","","- C68 H76 Ni4 O8 P4 -","- C68 H76 Ni4 O8 P4 -","- C136 H152 Ni8 O16 P8 -","2","0.25","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.0682","0.0439","","","0.0772","0.0857","","","","","","1.015","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060071","18.9491","0.0005","18.9491","0.0005","18.9491","0.0005","90","","90","","90","","6804","0.3","183","2","183","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C24 H52 Ni4 O8 P4 -","- C24 H52 Ni4 O8 P4 -","- C144 H312 Ni24 O48 P24 -","6","0.25","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.0543","0.0414","","","0.0982","0.104","","","","","","1.106","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060072","18.7303","0.0004","18.7303","0.0004","12.5854","0.0002","90","","90","","90","","4415.26","0.15","183","2","183","2","","","","","","","","5","I -4","I -4","82","","","","- C84 H148 Ni4 O8 P4 -","- C84 H148 Ni4 O8 P4 -","- C168 H296 Ni8 O16 P8 -","2","0.25","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.0594","0.0482","","","0.1358","0.1441","","","","","","1.052","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060073","15.0676","0.0005","16.0297","0.0005","16.1476","0.0006","98.279","0.002","104.586","0.002","93.72","0.002","3714.2","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H121 N Ni6 O13 P6 -","- C57 H121 N Ni6 O13 P6 -","- C114 H242 N2 Ni12 O26 P12 -","2","1","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.1118","0.0627","","","0.1373","0.1653","","","","","","1.037","","","","has coordinates,has disorder","178489","2020-10-21","18:00:00",""
"4060074","9.3259","0.0004","12.5108","0.0007","13.5807","0.0008","88.669","0.003","87.244","0.003","70.259","0.003","1489.6","0.1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H50.5 N1.5 Ni O3 P -","- C30.5 H50.5 N1.5 Ni O3 P -","- C61 H101 N3 Ni2 O6 P2 -","2","1","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.065","0.0523","","","0.1476","0.1534","","","","","","1.079","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060075","16.6139","0.0013","10.773","0.0011","16.1339","0.0011","90","","102.756","0.006","90","","2816.4","0.4","294","","294","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N O P2 Ru -","- C27 H41 N O P2 Ru -","- C108 H164 N4 O4 P8 Ru4 -","4","1","","Remle Çelenligil-Çetin; Lori A. Watson; Chengyun Guo; Bruce M. Foxman; Oleg V. Ozerov","Decarbonylation of Acetone and Carbonate at a Pincer-Ligated Ru Center","Organometallics","2005","24","","186","189","10.1021/om049061m","","","0.71073","MoKα","","0.108","0.04","","0.0967","0.0442","0.0442","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060076","13.849","0.002","9.9235","0.0015","17.759","0.003","90","","94.524","0.003","90","","2432.9","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pentamethylcyclopentadienyl)(triisopropylphosphine) (dimethylchlorosilyl)ruthenium dihydride","","- C21 H44 Cl P Ru Si -","- C21 H44 Cl P Ru Si -","- C84 H176 Cl4 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0566","0.0403","","","0.104","0.11","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060077","9.5522","0.0003","9.7988","0.0003","14.2729","0.0005","82.106","0.001","74.015","0.001","63.171","0.001","1145.91","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(pentamethylcyclopentadienyl)(diisopropylmethylphosphine) (dimethylchlorosilyl)ruthenium dihydride","","- C19 H40 Cl P Ru Si -","- C19 H40 Cl P Ru Si -","- C38 H80 Cl2 P2 Ru2 Si2 -","2","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0468","0.0452","","","0.1192","0.1207","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060078","13.8023","0.0008","9.8582","0.0005","17.8192","0.001","90","","94.1","0.002","90","","2418.4","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pentamethylcyclopentadienyl)(triisopropylphosphine) (methyldichlorosilyl)ruthenium dihydride","","- C20 H41 Cl2 P Ru Si -","- C20 H41 Cl2 P Ru Si -","- C80 H164 Cl8 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0291","0.0265","","","0.0734","0.0748","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060079","8.9255","0.0003","13.1723","0.0004","9.6629","0.0004","90","","115.278","0.001","90","","1027.28","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(pentamethylcyclopentadienyl)(isopropyldimethylphosphine) (methyldichlorosilyl)ruthenium dihydride","","- C16 H33 Cl2 P Ru Si -","- C16 H33 Cl2 P Ru Si -","- C32 H66 Cl4 P2 Ru2 Si2 -","2","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0314","0.0299","","","0.0767","0.0786","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060080","8.8721","0.0003","15.0898","0.0005","17.1508","0.0006","90","","96.013","0.001","90","","2283.49","0.13","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(pentamethylcyclopentadienyl)(diisopropylmethylphosphine) (chloro)(trichlorosilyl)ruthenium hydride","","- C17 H33 Cl4 P Ru Si -","- C17 H33 Cl4 P Ru Si -","- C68 H132 Cl16 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0463","0.0361","","","0.0798","0.0878","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060081","9.7845","0.0003","15.7692","0.0005","13.9294","0.0004","90","","91.192","0.001","90","","2148.75","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(pentamethylcyclopentadienyl)(isopropyldimethylphosphine) (chloro)(trichlorosilyl)ruthenium hydride","","- C15 H29 Cl4 P Ru Si -","- C15 H29 Cl4 P Ru Si -","- C60 H116 Cl16 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0264","0.0227","","","0.059","0.0604","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060082","9.3407","0.0003","31.3721","0.0009","8.6589","0.0003","90","","115.61","0.001","90","","2288.1","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pentamethylcyclopentadienyl)(dimethylphenylphosphine) (chloro)(trichlorosilyl)ruthenium hydride","","- C18 H27 Cl4 P Ru Si -","- C18 H27 Cl4 P Ru Si -","- C72 H108 Cl16 P4 Ru4 Si4 -","4","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0286","0.0237","","","0.053","0.063","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060083","33.0396","0.0013","8.9192","0.0004","14.8864","0.0006","90","","101.646","0.001","90","","4296.5","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(pentamethylcyclopentadienyl)(triisopropylmethylphosphine) (trihydrosilyl)ruthenium dihydride","","- C19 H41 P Ru Si -","- C19 H41 P Ru Si -","- C152 H328 P8 Ru8 Si8 -","8","1","","Osipov, Alexander L.; Gerdov, Sergei M.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Syntheses and X-ray Diffraction Studies of Half-Sandwich Hydridosilyl Complexes of Ruthenium","Organometallics","2005","24","4","587","602","10.1021/om0495271","","","0.71073","MoKα","","0.0339","0.0284","","","0.0673","0.0718","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060091","13.667","0.009","17.272","0.011","18.06","0.012","92.019","0.012","101.885","0.011","104.029","0.011","4031","5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C104 H97 As4 Co4 F12 N4 O40.5 Pt2 S4 -","- C104 H80 As4 Co4 F12 N4 O40.5 Pt2 S4 -","- C104 H80 As4 Co4 F12 N4 O40.5 Pt2 S4 -","1","0.5","","Li-Cheng Song; Guo-Xia Jin; Wen-Xiong Zhang; Qing-Mei Hu","Cationic M(II)/Co(0) (M = Pd, Pt) Metallomacrocycles Containing Tetrahedral Co~2~C~24 Cluster Cores Formed by Self-Assembly of Cluster-Bridged Bipyridine (4-C~5~H~4~NCO~2~CH~2~)~2~C~2~Co~2~(CO)~6~ and Diarsine-Chelated Complex [Pd(dpab)(H~2~O)(OTf)][OTf] or [Pt(dpab)(H~2~O)~2~][OTf]~2~","Organometallics","2005","24","","700","706","10.1021/om049175y","","","0.71073","MoKα","","0.1399","0.0689","","","0.2004","0.2398","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060092","12.354","0.005","17.951","0.007","18.506","0.007","90","","90","","90","","4104","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H16 N2 O16 Ru6 -","- C36 H16 N2 O16 Ru6 -","- C144 H64 N8 O64 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0287","0.0253","","","0.0572","0.0606","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060093","21.6445","0.0003","11.3872","0.0001","70.7952","0.0007","90","","92.101","0.001","90","","17437.2","0.3","200","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.75 H16 Cl1.5 N2 O17 Ru7 -","- C37.75 H16 Cl1.5 N2 O17 Ru7 -","- C604 H256 Cl24 N32 O272 Ru112 -","16","2","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","1.5418","CuKα","","0.0998","0.0781","","","0.2087","0.235","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060094","15.17","0.03","12.55","0.02","23.2","0.04","90","","92.75","0.03","90","","4412","13","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.4 H16.8 Cl0.8 N2 O14 Ru6 -","- C34.4 H16.8 Cl0.8 N2 O14 Ru6 -","- C137.6 H67.2 Cl3.2 N8 O56 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.1617","0.1022","","","0.2107","0.2558","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060095","11.1372","0.0002","16.4202","0.0003","19.2955","0.0003","90","","90","","90","","3528.67","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H16 N2 O13 Ru5 -","- C33 H16 N2 O13 Ru5 -","- C132 H64 N8 O52 Ru20 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","1.5418","CuKα","","0.0255","0.0251","","","0.0664","0.0665","","","","","","1.188","","","","has coordinates","277847","2022-09-14","22:28:04",""
"4060096","19.296","0.003","17.896","0.003","21.224","0.004","90","","90","","90","","7329","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H24 N2 O10 Ru5 -","- C37 H24 N2 O10 Ru5 -","- C296 H192 N16 O80 Ru40 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0548","0.0439","","","0.0824","0.0909","","","","","","1.22","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060112","10.125","0.003","11.941","0.003","22.971","0.007","76.768","0.011","83.65","0.012","72.101","0.009","2570.3","1.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","benzothiagermete","","","- C45 H80 Ge S Si6 -","- C45 H80 Ge S Si6 -","- C90 H160 Ge2 S2 Si12 -","2","1","","Sasamori, Takahiro; Sasaki, Takayo; Takeda, Nobuhiro; Tokitoh, Norihiro","Reactions of a Germacyclopropabenzene with Elemental Chalcogens: Syntheses and Structures of a Series of Stable 2H-Benzo[c][1,2]chalcogenagermetes","Organometallics","2005","24","4","612","618","10.1021/om049216q","","","0.7107","MoKα","","0.065","0.0522","","","0.0959","0.1004","","","","","","1.115","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060113","11.874","0.004","12.5","0.005","19.77","0.006","77.426","0.017","88.937","0.016","65.979","0.005","2607.8","1.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H80 Ge Se Si6 -","- C45 H80 Ge Se Si6 -","- C90 H160 Ge2 Se2 Si12 -","2","1","","Sasamori, Takahiro; Sasaki, Takayo; Takeda, Nobuhiro; Tokitoh, Norihiro","Reactions of a Germacyclopropabenzene with Elemental Chalcogens: Syntheses and Structures of a Series of Stable 2H-Benzo[c][1,2]chalcogenagermetes","Organometallics","2005","24","4","612","618","10.1021/om049216q","","","0.7107","MoKα","","0.1528","0.067","","","0.1294","0.1502","","","","","","0.93","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060114","13.8849","0.0014","18.3366","0.0013","20.7964","0.0015","90","","93.7513","0.001","90","","5283.5","0.8","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound5","","","- C45 H80 Ge Si6 Te -","- C45 H80 Ge Si6 Te -","- C180 H320 Ge4 Si24 Te4 -","4","1","","Sasamori, Takahiro; Sasaki, Takayo; Takeda, Nobuhiro; Tokitoh, Norihiro","Reactions of a Germacyclopropabenzene with Elemental Chalcogens: Syntheses and Structures of a Series of Stable 2H-Benzo[c][1,2]chalcogenagermetes","Organometallics","2005","24","4","612","618","10.1021/om049216q","","","0.7107","MoKα","","0.0854","0.0479","","","0.0996","0.1095","","","","","","0.965","","","","has coordinates","270067","2021-10-23","17:05:03",""
"4060120","14.4371","0.0013","15.9432","0.0015","6.7245","0.0006","90","","90","","90","","1547.8","0.2","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H8 Au Cl N3 -","- C4 H8 Au Cl N3 -","- C32 H64 Au8 Cl8 N24 -","8","1","","Wang, Harrison M. J.; Vasam, Chandra Sekhar; Tsai, Thomas Y. R.; Chen, Shih-Hua; Chang, A. H. H.; Lin, Ivan J. B.","Gold(I) N-Heterocyclic Carbene and Carbazolate Complexes","Organometallics","2005","24","4","486","493","10.1021/om049221u","","","0.71073","MoKα","","0.177","0.1692","","","0.4129","0.4224","","","","","","1.85","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060134","9.307","0.0001","12.97","0.0002","26.584","0.0005","84.106","0.001","83.028","0.001","80.753","0.001","3132.53","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H59 Cl5 O P4 Ru S2 -","- C67 H59 Cl5 O P4 Ru S2 -","- C134 H118 Cl10 O2 P8 Ru2 S4 -","2","1","","Fillaut, Jean-Luc; Perruchon, Johann; Blanchard, Philippe; Roncali, Jean; Golhen, Stéphane; Allain, Magali; Migalsaka-Zalas, Anna; Kityk, Ivan V.; Sahraoui, Bouchta","Design and Synthesis of Ruthenium Oligothienylacetylide Complexes. New Materials for Acoustically Induced Nonlinear Optics","Organometallics","2005","24","4","687","695","10.1021/om049236s","","","0.71073","MoKα","","0.1122","0.0562","","","0.1229","0.1456","","","","","","1.029","","","","has coordinates","219021","2020-10-21","18:00:00",""
"4060135","8.0389","0.0007","7.536","0.001","18.853","0.002","90","","94.48","0.01","90","","1138.6","0.4","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br O S2 -","- C11 H7 Br O S2 -","- C44 H28 Br4 O4 S8 -","4","1","","Fillaut, Jean-Luc; Perruchon, Johann; Blanchard, Philippe; Roncali, Jean; Golhen, Stéphane; Allain, Magali; Migalsaka-Zalas, Anna; Kityk, Ivan V.; Sahraoui, Bouchta","Design and Synthesis of Ruthenium Oligothienylacetylide Complexes. New Materials for Acoustically Induced Nonlinear Optics","Organometallics","2005","24","4","687","695","10.1021/om049236s","","","0.71073","Mo-Kα","","0.096","0.054","","0.087","","0.083","","","2.038","","","2.084","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060275","22.058","0.004","18.543","0.004","25.931","0.005","90","","109.2","0.03","90","","10017","3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H130 N12 Na4 P6 Sn2 -","- C79 H130 N12 Na4 P6 Sn2 -","- C316 H520 N48 Na16 P24 Sn8 -","4","0.5","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Pask, Christopher M.; Stead, Matthew L.; Woods, Anthony D.; Wright, Dominic S.","Reactions of Sn(NMe~2~)~2~ with Primary Aryl Phosphides, ArPH-: Synthesis and Structures of the Heteroleptic Cages [{(PhP‒PPh)Sn(μ-PPh)}~2~(Na·PMDETA)~4~ and [{Sn(μ~3~-Ppy)}~3~{Sn(μ~3~,μ~1~-pyP‒Ppy)}~3~]","Organometallics","2005","24","8","1813","1818","10.1021/om049177i","","","","","","","","","","","","","","","","","","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060276","11.81","0.002","14.816","0.003","19.365","0.004","90.93","0.03","92.14","0.03","101.67","0.03","3315","1.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H56 N9 O2.5 P9 Sn6 -","- C55 H56 N9 O2.5 P9 Sn6 -","- C110 H112 N18 O5 P18 Sn12 -","2","1","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Pask, Christopher M.; Stead, Matthew L.; Woods, Anthony D.; Wright, Dominic S.","Reactions of Sn(NMe~2~)~2~ with Primary Aryl Phosphides, ArPH-: Synthesis and Structures of the Heteroleptic Cages [{(PhP‒PPh)Sn(μ-PPh)}~2~(Na·PMDETA)~4~ and [{Sn(μ~3~-Ppy)}~3~{Sn(μ~3~,μ~1~-pyP‒Ppy)}~3~]","Organometallics","2005","24","8","1813","1818","10.1021/om049177i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060277","11.699","0.004","12.52","0.005","13.149","0.005","90","","94.534","0.006","90","","1920","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 B F4 O2 Ru S -","- C20 H15 B F4 O2 Ru S -","- C80 H60 B4 F16 O8 Ru4 S4 -","4","1","","Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.","Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes","Organometallics","2005","24","9","2168","2176","10.1021/om048973l","","","0.71073","MoKα","","0.0744","0.0677","","","0.2006","0.2083","","","","","","1.1","","","","has coordinates","180559","2020-10-21","18:00:00",""
"4060278","9.3637","0.0008","10.4141","0.0009","11.7381","0.0009","73.448","0.001","69.504","0.001","88.382","0.002","1024.48","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H17 B F4 O2 Ru S -","- C21 H17 B F4 O2 Ru S -","- C42 H34 B2 F8 O4 Ru2 S2 -","2","1","","Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.","Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes","Organometallics","2005","24","9","2168","2176","10.1021/om048973l","","","0.71073","MoKα","","0.038","0.0311","","","0.0775","0.0803","","","","","","1.018","","","","has coordinates","180559","2020-10-21","18:00:00",""
"4060279","9.394","0.004","11.003","0.005","19.963","0.009","90","","98.66","0.008","90","","2039.7","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 B F4 O2 Ru S -","- C21 H17 B F4 O2 Ru S -","- C84 H68 B4 F16 O8 Ru4 S4 -","4","1","","Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.","Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes","Organometallics","2005","24","9","2168","2176","10.1021/om048973l","","","0.71073","MoKα","","0.0833","0.0787","","","0.1925","0.1945","","","","","","1.222","","","","has coordinates","180559","2020-10-21","18:00:00",""
"4060287","12.574","0.001","16.472","0.001","18.363","0.002","90","","92.06","0.01","90","","3800.9","0.6","228","2","228","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H60 B8 Fe2 N2 Si4 -","- C22 H60 B8 Fe2 N2 Si4 -","- C88 H240 B32 Fe8 N8 Si16 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.051","0.037","","","0.084","0.09","","","","","","1.075","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060288","10.932","0.002","12.939","0.003","22.815","0.005","90","","90","","90","","3227.2","1.1","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H44 B8 Fe Si4 -","- C16 H44 B8 Fe Si4 -","- C64 H176 B32 Fe4 Si16 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.222","0.097","","","0.186","0.246","","","","","","1.023","","","","has coordinates","133915","2020-10-21","18:00:00",""
"4060289","11.562","0.002","15.644","0.004","17.925","0.004","89.85","0.02","76.21","0.02","86.52","0.02","3142.7","1.2","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H95 B8 Cl5 Co4 N6 Si4 -","- C37 H95 B8 Cl5 Co4 N6 Si4 -","- C74 H190 B16 Cl10 Co8 N12 Si8 -","2","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.038","0.03","","","0.071","0.076","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060290","8.329","0.002","19.648","0.006","14.57","0.004","90","","94.38","0.02","90","","2377.4","1.1","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H38 B4 Co N2 Si2 -","- C14 H38 B4 Co N2 Si2 -","- C56 H152 B16 Co4 N8 Si8 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.065","0.041","","","0.089","0.101","","","","","","1.038","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060291","17.788","0.005","10.13","0.002","21.049","0.005","90","","112.33","0.02","90","","3508.4","1.5","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H55 B8 N2 Ni Si4 -","- C21 H55 B8 N2 Ni Si4 -","- C84 H220 B32 N8 Ni4 Si16 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.051","0.034","","","0.08","0.089","","","","","","1.034","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060292","12.3343","0.001","12.6118","0.001","13.4358","0.0011","90","","95.913","0.002","90","","2078.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl Os P -","- C22 H30 Cl Os P -","- C88 H120 Cl4 Os4 P4 -","4","1","","Baya, Miguel; Buil, María L.; Esteruelas, Miguel A.; Oñate, Enrique","Ene-Type Reactions between an α-Alkenylphosphine and Terminal Alkynes Promoted by Osmium-Cyclopentadienyl Fragments","Organometallics","2005","24","9","2030","2038","10.1021/om0489857","","","0.71073","MoKα","","0.0576","0.0297","","","0.0365","0.0402","","","","","","0.655","","","","has coordinates","219028","2020-10-21","18:00:00",""
"4060293","7.6298","0.0005","11.3416","0.0007","14.0086","0.0008","103.785","0.001","95.97","0.001","91.487","0.001","1169.3","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H34 Cl Os P -","- C24.5 H23 Cl Os P -","- C49 H46 Cl2 Os2 P2 -","2","1","","Baya, Miguel; Buil, María L.; Esteruelas, Miguel A.; Oñate, Enrique","Ene-Type Reactions between an α-Alkenylphosphine and Terminal Alkynes Promoted by Osmium-Cyclopentadienyl Fragments","Organometallics","2005","24","9","2030","2038","10.1021/om0489857","","","0.71073","MoKα","","0.0321","0.0285","","","0.0627","0.0636","","","","","","1.002","","","","has coordinates,has disorder","219028","2020-10-21","18:00:00",""
"4060302","10.6113","0.0001","11.2399","0.0001","13.7102","0.0002","88.8081","0.0005","69.2081","0.0005","74.7048","0.0005","1469.76","0.03","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H15 B Cl2 F15 O Ta -","- C28 H15 B Cl2 F15 O Ta -","- C56 H30 B2 Cl4 F30 O2 Ta2 -","2","1","","Sánchez-Nieves, Javier; Frutos, Luis M.; Royo, Pascual; Castaño, Obis; Herdtweck, Eberhardt","Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid","Organometallics","2005","24","8","2004","2007","10.1021/om049012+","","","0.71073","MoKα","","0.0237","0.0226","","","0.0588","0.0593","","","","","","1.102","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060308","6.9618","0.0004","9.6073","0.0008","16.1541","0.0009","73.219","0.003","89.975","0.003","81.823","0.003","1022.98","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H20 N O5 P Si2 W -","- C13 H20 N O5 P Si2 W -","- C26 H40 N2 O10 P2 Si4 W2 -","2","1","","Ionescu, Emanuel; von Frantzius, Gerd; Jones, Peter G.; Streubel, Rainer","Photochemical and Thermal Reactions of a 2H-Azaphosphirene Complex with Isonitriles","Organometallics","2005","24","9","2237","2240","10.1021/om049014u","","","0.71073","MoKα","","0.0185","0.0159","","","0.0341","0.0346","","","","","","0.998","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4060309","9.57","0.003","16.823","0.006","22.097","0.007","83.487","0.007","78.19","0.006","74.605","0.006","3351","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H25 Cl N2 O7 P Re -","- C33.5 H25 Cl N2 O7 P Re -","- C134 H100 Cl4 N8 O28 P4 Re4 -","4","2","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Victor; Seitz, Markus; Miguel, Daniel","Activation of Ancillary Ligands in the Reactions of DMAD with Phosphido and Alkylideneamido Rhenium Complexes","Organometallics","2005","24","7","1772","1775","10.1021/om049019r","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060310","8.792","0.002","11.201","0.003","17.928","0.004","91.53","0.003","98.082","0.003","109.195","0.003","1645.8","0.6","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H26 Cl2 N2 O7 P Re -","- C34 H26 Cl2 N2 O7 P Re -","- C68 H52 Cl4 N4 O14 P2 Re2 -","2","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Victor; Seitz, Markus; Miguel, Daniel","Activation of Ancillary Ligands in the Reactions of DMAD with Phosphido and Alkylideneamido Rhenium Complexes","Organometallics","2005","24","7","1772","1775","10.1021/om049019r","","","","","","","","","","","","","","","","","","","","","has coordinates","133830","2020-10-21","18:00:00",""
"4060311","9.451","0.003","17.881","0.005","18.285","0.005","90","","102.054","0.006","90","","3021.9","1.5","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N3 O7 Re -","- C32 H24 N3 O7 Re -","- C128 H96 N12 O28 Re4 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Victor; Seitz, Markus; Miguel, Daniel","Activation of Ancillary Ligands in the Reactions of DMAD with Phosphido and Alkylideneamido Rhenium Complexes","Organometallics","2005","24","7","1772","1775","10.1021/om049019r","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060315","13.432","0.0013","10.5988","0.001","16.2393","0.0015","90","","113.411","0.009","90","","2121.6","0.3","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H31 Cl3 N3 O0.5 P Ru -","- C17.5 H31 Cl3 N3 O0.5 P Ru -","- C70 H124 Cl12 N12 O2 P4 Ru4 -","4","1","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano","Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study","Organometallics","2005","24","9","2114","2123","10.1021/om049022a","","","0.71073","MoKα","","0.0513","0.0426","","","0.1101","0.1147","","","","","","1.022","","","","has coordinates,has disorder","301829","2025-08-20","12:17:33",""
"4060316","10.579","0.002","12.7402","0.0009","20.977","0.004","90","","101.171","0.016","90","","2773.7","0.8","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl8 N3 Os P -","- C18 H28 Cl8 N3 Os P -","- C72 H112 Cl32 N12 Os4 P4 -","4","1","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano","Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study","Organometallics","2005","24","9","2114","2123","10.1021/om049022a","","","0.7107","MoKα","","0.046","0.0426","","","0.1106","0.1139","","","","","","1.128","","","","has coordinates","180562","2020-10-21","18:00:00",""
"4060317","13.5918","0.002","10.7345","0.0009","16.442","0.002","90","","113.142","0.014","90","","2205.9","0.5","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H31 Cl3 N3 O0.5 Os P -","- C17.5 H31 Cl3 N3 O0.5 Os P -","- C70 H124 Cl12 N12 O2 Os4 P4 -","4","1","","Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano","Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study","Organometallics","2005","24","9","2114","2123","10.1021/om049022a","","","0.71073","MoKα","","0.0865","0.0774","","","0.1656","0.17","","","","","","1.196","","","","has coordinates,has disorder","301829","2025-08-20","12:17:33",""
"4060323","13.882","0.002","14.823","0.002","15.492","0.006","90","","90.92","0.02","90","","3187.4","1.4","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Co N3 -","- C34 H46 Co N3 -","- C136 H184 Co4 N12 -","4","1","","Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies","Organometallics","2005","24","9","2039","2050","10.1021/om049032b","","","0.71073","MoKα","","0.0999","0.0543","","","0.1026","0.1142","","","","","","0.978","","","","has coordinates","180564","2020-10-21","18:00:00",""
"4060324","36.945","0.011","8.062","0.003","17.718","0.005","90","","101.91","0.05","90","","5164","3","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 Cl Co N3 -","- C27 H31 Cl Co N3 -","- C216 H248 Cl8 Co8 N24 -","8","1","","Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies","Organometallics","2005","24","9","2039","2050","10.1021/om049032b","","","0.71073","MoKα","","0.083","0.0444","","","0.0942","0.1053","","","","","","0.975","","","","has coordinates","180564","2020-10-21","18:00:00",""
"4060327","15.899","0.0006","6.85","0.0002","21.321","0.0009","90","","96.52","0.0012","90","","2307.01","0.15","230","0.2","230","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N2 Ni O2 Si2 -","- C18 H30 N2 Ni O2 Si2 -","- C72 H120 N8 Ni4 O8 Si8 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060328","10.859","0.0002","13.981","0.0003","20.451","0.0006","90","","101.025","0.0008","90","","3047.56","0.12","230","0.2","230","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 N4 Ni O2 Si2 -","- C24 H46 N4 Ni O2 Si2 -","- C96 H184 N16 Ni4 O8 Si8 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060329","11.3643","0.0005","12.0823","0.0006","13.7054","0.0007","106.974","0.002","108.096","0.002","91.455","0.002","1696.84","0.14","230","0.2","230","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 N4 Ni2 Si4 -","- C26 H46 N4 Ni2 Si4 -","- C52 H92 N8 Ni4 Si8 -","2","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060330","11.588","0.0002","15.102","0.0003","32.82","0.0008","90","","98.761","0.0008","90","","5676.6","0.2","230","0.2","230","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H78 Br2 Li2 N8 Ni Si4 -","- C38 H78 Br2 Li2 N8 Ni Si4 -","- C152 H312 Br8 Li8 N32 Ni4 Si16 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060331","8.585","0.0003","14.324","0.0006","10.017","0.0004","90","","113.926","0.003","90","","1125.96","0.08","230","0.2","230","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 N2 Ni0.5 -","- C6 H16 N2 Ni0.5 -","- C48 H128 N16 Ni4 -","8","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060333","17.613","0.0002","12.846","0.0003","20.98","0.0003","90","","90","","90","","4746.86","0.14","230","0.2","230","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H32 N2 Ni O2 Si2 -","- C19 H32 N2 Ni O2 Si2 -","- C152 H256 N16 Ni8 O16 Si16 -","8","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060334","14.919","0.0011","10.908","0.0008","20.112","0.002","90","","103.606","0.003","90","","3181.1","0.5","230","0.2","230","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 N4 Ni O2 Si2 -","- C25 H48 N4 Ni O2 Si2 -","- C100 H192 N16 Ni4 O8 Si8 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060335","26.707","0.0012","8.883","0.0006","20.412","0.0012","90","","129.923","0.003","90","","3713.8","0.4","230","0.1","230","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 N4 Ni Si4 -","- C28 H50 N4 Ni Si4 -","- C112 H200 N16 Ni4 Si16 -","4","0.5","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060336","9.809","0.002","16.995","0.004","15.197","0.003","90","","99.037","0.01","90","","2502","1","230","0.2","230","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N2 Ni -","- C12 H16 N2 Ni -","- C96 H128 N16 Ni8 -","8","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060337","11.336","0.0002","12.122","0.0002","29.042","0.0005","90","","93.924","0.0008","90","","3981.45","0.12","230","0.2","230","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H55 N5 Ni Si4 -","- C33 H55 N5 Ni Si4 -","- C132 H220 N20 Ni4 Si16 -","4","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060348","13.127","0.0002","12.648","0.0002","13.745","0.0003","90","","90","","90","","2282.09","0.07","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Ir-Cl","","","- C9.5 H13.5 Cl0.5 F3 Ir0.5 N2 P0.5 -","- C9.5 H14 Cl0.5 F3 Ir0.5 N2 P0.5 -","- C76 H112 Cl4 F24 Ir4 N16 P4 -","8","1","","Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael","Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set","Organometallics","2005","24","8","1832","1836","10.1021/om049045p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060349","13.951","0.0008","12.273","0.0008","13.842","0.001","90","","90","","90","","2370","0.3","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Ir-I","","","- C19 H27 F6 I Ir N4 P -","- C19 H27 F6 I Ir N4 P -","- C76 H108 F24 I4 Ir4 N16 P4 -","4","0.5","","Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael","Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set","Organometallics","2005","24","8","1832","1836","10.1021/om049045p","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060381","9.122","0.005","9.217","0.005","14.069","0.008","102.467","0.012","95.424","0.013","103.508","0.012","1109.8","1.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Mo O5 P -","- C23 H17 Mo O5 P -","- C46 H34 Mo2 O10 P2 -","2","1","","Compain, Carine; Donnadieu, Bruno; Mathey, François","2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry","Organometallics","2005","24","7","1762","1765","10.1021/om049089y","","","","","","","","","","","","","","","","","","","","","has coordinates","133832","2020-10-21","18:00:00",""
"4060382","11.5733","0.0012","6.8944","0.0007","15.7794","0.0016","90","","95.682","0.005","90","","1252.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 P S2 -","- C12 H15 P S2 -","- C48 H60 P4 S8 -","4","1","","Compain, Carine; Donnadieu, Bruno; Mathey, François","2,3-Benzo-7-phosphanorbornadiene Complexes: Synthesis and Chemistry","Organometallics","2005","24","7","1762","1765","10.1021/om049089y","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060385","6.6111","0.0016","8.633","0.0019","15.917","0.004","83.18","0.02","78.31","0.03","89.39","0.02","883.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 B F15 O -","- C18 B F15 O -","- C36 B2 F30 O2 -","2","1","","Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.","From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity","Organometallics","2005","24","7","1685","1691","10.1021/om049091p","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060386","6.0687","0.0013","10.5527","0.0019","14.722","0.003","83.699","0.015","84.364","0.018","79.853","0.011","919.5","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 B F15 O2 -","- C18 B F15 O2 -","- C36 B2 F30 O4 -","2","1","","Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.","From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity","Organometallics","2005","24","7","1685","1691","10.1021/om049091p","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060387","16.611","0.005","5.618","0.006","20.09","0.007","90","","93.62","0.019","90","","1871","2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 B F15 O3 -","- C18 B F15 O3 -","- C72 B4 F60 O12 -","4","1","","Britovsek, George J. P.; Ugolotti, Juri; White, Andrew J. P.","From B(C6F5)3 to B(OC6F5)3: Synthesis of (C6F5)2BOC6F5 and C6F5B(OC6F5)2 and Their Relative Lewis Acidity","Organometallics","2005","24","7","1685","1691","10.1021/om049091p","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060391","10.006","0.002","12.497","0.003","13.971","0.003","64.5","0.004","87.263","0.004","84.66","0.004","1569.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H10 B Cl F20 Zr -","- C34 H10 B Cl F20 Zr -","- C68 H20 B2 Cl2 F40 Zr2 -","2","1","","Wu, Fan; Jordan, Richard F.","Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane","Organometallics","2005","24","11","2688","2697","10.1021/om049099z","","","","","","","","","","","","","","","","","","","","","has coordinates","219025","2020-10-21","18:00:00",""
"4060392","11.684","0.002","13.503","0.003","13.712","0.003","85.334","0.004","68.088","0.004","75.768","0.004","1945.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H38 B2 Cl4 F40 Zr2 -","- C84 H38 B2 Cl4 F40 Zr2 -","- C84 H38 B2 Cl4 F40 Zr2 -","1","0.5","","Wu, Fan; Jordan, Richard F.","Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane","Organometallics","2005","24","11","2688","2697","10.1021/om049099z","","","","","","","","","","","","","","","","","","","","","has coordinates","219025","2020-10-21","18:00:00",""
"4060393","27.854","0.006","18.962","0.004","17.008","0.003","90","","91.45","0.03","90","","8980","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H24 B F20 N Zr -","- C55 H24 B F20 N Zr -","- C440 H192 B8 F160 N8 Zr8 -","8","2","","Wu, Fan; Jordan, Richard F.","Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane","Organometallics","2005","24","11","2688","2697","10.1021/om049099z","","","","","","","","","","","","","","","","","","","","","has coordinates","219025","2020-10-21","18:00:00",""
"4060417","9.4016","0.0017","9.5304","0.0016","22.771","0.004","93.146","0.004","92.938","0.004","98.53","0.004","2011.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H52 N2 P2 Si2 Y -","- C41.5 H47 N2 P2 Si2 Y -","- C83 H94 N4 P4 Si4 Y2 -","2","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.71073","MoKα","","0.0465","0.0341","","","0.0875","0.0949","","","","","","1.064","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060418","12.305","0.0008","19.623","0.0013","15.65","0.001","90","","99.364","0.008","90","","3728.5","0.4","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 N2 P2 Si2 Sm -","- C39 H47 N2 P2 Si2 Sm -","- C156 H188 N8 P8 Si8 Sm4 -","4","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.56087","AgKα","","0.0721","0.0585","","","0.1619","0.1742","","","","","","1.12","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060419","9.3791","0.0017","9.4895","0.0017","22.693","0.004","93.345","0.004","92.875","0.004","98.921","0.004","1988.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H52 Er N2 P2 Si2 -","- C41.5 H47 Er N2 P2 Si2 -","- C83 H94 Er2 N4 P4 Si4 -","2","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.71073","MoKα","","0.033","0.0262","","","0.0607","0.0653","","","","","","1.065","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060420","9.377","0.002","9.508","0.002","22.703","0.005","93.493","0.004","92.759","0.004","99.268","0.004","1990.6","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H52 N2 P2 Si2 Yb -","- C41.5 H47 N2 P2 Si2 Yb -","- C83 H94 N4 P4 Si4 Yb2 -","2","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.71073","MoKα","","0.0326","0.0265","","","0.0621","0.067","","","","","","1.068","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060421","9.351","0.002","9.5","0.002","22.7","0.005","93.619","0.005","92.852","0.005","99.437","0.005","1981.7","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H52 Lu N2 P2 Si2 -","- C41.5 H47 Lu N2 P2 Si2 -","- C83 H94 Lu2 N4 P4 Si4 -","2","1","","Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.","Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis","Organometallics","2005","24","9","2197","2202","10.1021/om0491138","","","0.71073","MoKα","","0.0275","0.0237","","","0.0565","0.0605","","","","","","1.082","","","","has coordinates","180535","2020-10-21","18:00:00",""
"4060423","10.06","0.001","19.129","0.002","27.912","0.003","90","","91.6","0.005","90","","5369.2","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 F6 N O3 P3 Rh -","- C58 H59 F6 N O3 P3 Rh -","- C232 H236 F24 N4 O12 P12 Rh4 -","4","1","","Paolo Marcazzan; Brian O. Patrick; Brian R. James","Rhodium(III)-Cyclometalated-Imine Complexes: Solution Behavior and Reactivity with Molecular Hydrogen","Organometallics","2005","24","","1445","1451","10.1021/om049121o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178493","2020-10-21","18:00:00",""
"4060427","12.323","0.003","10.322","0.002","21.059","0.004","90","","99.59","0.03","90","","2641.2","0.9","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Co Si4 -","- C18 H42 Co Si4 -","- C72 H168 Co4 Si16 -","4","1","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0332","","","0.093","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060428","16.578","0.003","12.43","0.003","12.698","0.003","90","","90.84","0.03","90","","2616.3","0.9","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Ni Si4 -","- C18 H42 Ni Si4 -","- C72 H168 Ni4 Si16 -","4","0.5","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0463","","","0.1285","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060429","18.928","0.004","9.059","0.002","14.41","0.003","90","","100.39","0.03","90","","2430.4","0.8","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36 Cl3 N2 Si2 Ta -","- C15 H36 Cl3 N2 Si2 Ta -","- C60 H144 Cl12 N8 Si8 Ta4 -","4","1","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0346","","","0.1012","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060430","14.899","0.001","12.31","0.001","19.894","0.001","90","","90","","90","","3648.7","0.4","140","1","140","1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C15 H39 Cl9 Si2 Sn2 Zr2 -","- C15 H39 Cl9 Si2 Sn2 Zr2 -","- C60 H156 Cl36 Si8 Sn8 Zr8 -","4","0.25","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0434","","","0.1094","","","","","","","","","","","has coordinates","133678","2020-10-21","18:00:00",""
"4060431","14.86","0.001","12.28","0.001","19.901","0.002","90","","90","","90","","3631.6","0.5","140","1","140","1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C15 H39 Cl9 Hf2 Si2 Sn2 -","- C15 H39 Cl9 Hf2 Si2 Sn2 -","- C60 H156 Cl36 Hf8 Si8 Sn8 -","4","0.25","","Schormann, Mark; Garratt, Shaun; Bochmann, Manfred","The Reactivity of Silyl-Substituted Allyl Ligands with Group 4, 5, 9 and 10 Metals: Routes to η^3^-Allyls, Alkylidenes and sec-Alkyl Carbocations","Organometallics","2005","24","7","1718","1724","10.1021/om0491692","","","","","","","0.0579","","","0.142","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060432","11.6223","0.0001","14.8735","0.0001","20.0255","0.0001","90","","96.926","0.0002","90","","3436.43","0.04","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cl4 N2 P2 Ru -","- C35 H38 Cl4 N2 P2 Ru -","- C140 H152 Cl16 N8 P8 Ru4 -","4","1","","Baratta, Walter; Herdtweck, Eberhardt; Siega, Katia; Toniutti, Micaela; Rigo, Pierluigi","2-(Aminomethyl)pyridine‒Phosphine Ruthenium(II) Complexes: Novel Highly Active Transfer Hydrogenation Catalysts","Organometallics","2005","24","7","1660","1669","10.1021/om0491701","","","","","","","","","","","","","","","","","","","","","has coordinates","219014","2020-10-21","18:00:00",""
"4060433","23.2361","0.0002","14.6588","0.0001","14.6304","0.0001","90","","105.793","0.0003","90","","4795.2","0.06","173","1","173","1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H54 Cl8 Fe N2 P2 Ru -","- C44 H54 Cl8 Fe N2 P2 Ru -","- C176 H216 Cl32 Fe4 N8 P8 Ru4 -","4","1","","Baratta, Walter; Herdtweck, Eberhardt; Siega, Katia; Toniutti, Micaela; Rigo, Pierluigi","2-(Aminomethyl)pyridine‒Phosphine Ruthenium(II) Complexes: Novel Highly Active Transfer Hydrogenation Catalysts","Organometallics","2005","24","7","1660","1669","10.1021/om0491701","","","","","","","","","","","","","","","","","","","","","has coordinates","219014","2020-10-21","18:00:00",""
"4060450","14.685","0.002","14.691","0.002","20.695","0.004","95.985","0.003","101.92","0.003","104.487","0.003","4171.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H82 N2 Ni2 O2 P2 -","- C92 H82 N2 Ni2 O2 P2 -","- C184 H164 N4 Ni4 O4 P4 -","2","1","","Hu, Tao; Tang, Li-Ming; Li, Xiao-Fang; Li, Yue-Sheng; Hu, Ning-Hai","Synthesis and Ethylene Polymerization Activity of a Novel, Highly Active Single-Component Binuclear Neutral Nickel(II) Catalyst","Organometallics","2005","24","11","2628","2632","10.1021/om049223e","","","0.71073","MoKα","","0.0926","0.0647","","","0.1738","0.1967","","","","","","1.019","","","","has coordinates","133868","2020-10-21","18:00:00",""
"4060451","16.342","0.003","30.139","0.006","29.457","0.006","90","","102.68","0.03","90","","14155","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H208 N8 O24 Si16 -","- C111 H208 N8 O24 Si16 -","- C444 H832 N32 O96 Si64 -","4","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.1082","0.0634","","","0.1525","0.1709","","","","","","1","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4060452","9.728","0.003","9.696","0.003","13.71","0.002","77.332","0.01","74.774","0.013","64.301","0.016","1116.1","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H35 N3 O3 Si2 -","- C17 H35 N3 O3 Si2 -","- C34 H70 N6 O6 Si4 -","2","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.0747","0.0647","","","0.1801","0.1924","","","","","","1.039","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4060453","13.849","0.0016","15.341","0.0015","13.394","0.002","90","","114.812","0.012","90","","2583","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N3 O3 Si2 -","- C23 H33 N3 O3 Si2 -","- C92 H132 N12 O12 Si8 -","4","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.1919","0.0612","","","0.1499","0.1879","","","","","","0.998","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4060454","14.498","0.0017","14.498","0.0017","52.767","0.003","90","","90","","90","","11091.2","1.9","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C40 H72 Al2 N6 O7 Si4 -","- C40 H72 Al2 N6 O7 Si4 -","- C320 H576 Al16 N48 O56 Si32 -","8","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.3304","0.1155","","","0.2932","0.3987","","","","","","1.059","","","","has coordinates","209049","2020-10-21","18:00:00",""
"4060460","12.115","0.0004","9.2921","0.0003","9.9839","0.0002","90","","91.525","0.002","90","","1123.52","0.05","113.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H14 Zr -","- C14 H14 Zr -","- C56 H56 Zr4 -","4","1","","Suzuki, Noriyuki; Watanabe, Takaaki; Iwasaki, Masakazu; Chihara, Teiji","Reaction of 1-Zirconacyclopent-3-yne with ""Zirconocene"": Synthesis and Structure of Bimetallic 1,2,3-Butatriene Complexes","Organometallics","2005","24","9","2065","2069","10.1021/om049288h","","","","","","","","","","","","","","","","","","","","","has coordinates","210313","2020-10-21","18:00:00",""
"4060461","8.7249","0.0006","7.9789","0.0006","13.8141","0.0008","90","","91.116","0.003","90","","961.5","0.1","93.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Zr2 -","- C24 H24 Zr2 -","- C48 H48 Zr4 -","2","0.5","","Suzuki, Noriyuki; Watanabe, Takaaki; Iwasaki, Masakazu; Chihara, Teiji","Reaction of 1-Zirconacyclopent-3-yne with ""Zirconocene"": Synthesis and Structure of Bimetallic 1,2,3-Butatriene Complexes","Organometallics","2005","24","9","2065","2069","10.1021/om049288h","","","","","","","","","","","","","","","","","","","","","has coordinates","210313","2020-10-21","18:00:00",""
"4060462","9.1124","0.0015","14.864","0.005","15.61","0.002","62.273","0.018","87.045","0.013","76.072","0.016","1812","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H46 Cl3 F3 Ir O4 P2 S -","- C28 H46 Cl3 F3 Ir O4 P2 S -","- C56 H92 Cl6 F6 Ir2 O8 P4 S2 -","2","1","","Winter, Angelika M.; Eichele, Klaus; Mack, Hans-Georg; Kaska, William C.; Mayer, Hermann A.","C‒H versus Ir‒X (X = H, Cl) Reactivity in a Tropylium PCP Pincer Iridium Complex^1^","Organometallics","2005","24","8","1837","1844","10.1021/om049289+","","","","","","","","","","","","","","","","","","","","","has coordinates","133923","2020-10-21","18:00:00",""
"4060496","13.564","0.003","14.897","0.003","13.853","0.003","90","","117.49","0.03","90","","2483.1","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H50 Cl6 O4 P2 Ru -","- C42 H46 Cl2 O4 P2 Ru -","- C84 H92 Cl4 O8 P4 Ru2 -","2","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0422","0.0403","","","0.1136","0.1153","","","","","","1.114","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060497","10.1035","0.0005","28.61","0.005","18.303","0.005","90","","97.25","0.006","90","","5248.4","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Cl7 F6 P2 Ru Sb -","- C46 H52 Cl F6.014 P2 Ru Sb -","- C184 H208 Cl4 F24.056 P8 Ru4 Sb4 -","4","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0768","0.0569","","","0.1509","0.1599","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060498","24.3186","0.0011","29.7261","0.0013","16.5645","0.0007","90","","123.608","0.001","90","","9972.8","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl2 F12 P2 Ru Sb2 -","- C42 H46 F12 P2 Ru Sb2 -","- C336 H368 F96 P16 Ru8 Sb16 -","8","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0946","0.0627","","","0.1424","0.1509","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4060499","14.7948","0.0013","17.8716","0.0015","19.9255","0.0017","97.429","0.001","94.401","0.002","111.458","0.001","4818","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H92 Cl10 F12 P4 Ru2 Sb2 -","- C96 H92 Cl10 F12 P4 Ru2 Sb2 -","- C192 H184 Cl20 F24 P8 Ru4 Sb4 -","2","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.125","0.0714","","","0.1686","0.2019","","","","","","1.022","","","","has coordinates,has disorder","133871","2020-10-21","18:00:00",""
"4060500","10.4797","0.0005","11.8099","0.0014","13.5696","0.0012","92.326","0.009","108.03","0.005","112.768","0.008","1447.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 Cl8 P2 Ru2 -","- C50 H60 Cl8 P2 Ru2 -","- C50 H60 Cl8 P2 Ru2 -","1","0.5","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.0611","0.0413","","","0.0982","0.1035","","","","","","1.039","","","","has coordinates","133871","2020-10-21","18:00:00",""
"4060501","11.2957","0.0015","13.4324","0.0011","31.891","0.003","90","","96.17","0.013","90","","4810.8","0.9","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 Cl2 F6 O P2 Ru Sb -","- C42 H47 F6 O P2 Ru Sb -","- C168 H188 F24 O4 P8 Ru4 Sb4 -","4","1","","Doherty, Simon; Knight, Julian G.; Rath, Rakesh K.; Clegg, William; Harrington, Ross W.; Newman, Colin R.; Campbell, Robert; Amin, Hiren","Ruthenium Complexes of Six-Electron-Donor NUPHOS-Type Diphosphines: Highly Selective Catalysts for the Hydrocarboxylation of Terminal Alkynes","Organometallics","2005","24","11","2633","2644","10.1021/om050014j","","","0.71073","MoKα","","0.071","0.0474","","","0.13","0.139","","","","","","1.074","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060504","9.692","0.002","11.462","0.003","11.968","0.003","99.307","0.004","113.666","0.004","99.323","0.004","1163.2","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 O Si -","- C26 H30 O Si -","- C52 H60 O2 Si2 -","2","1","","Aneetha, Halikhedkar; Wu, Wei; Verkade, John G.","Stereo- and Regioselective Pt(DVDS)/P(^i^BuNCH~2~CH~2~)~3~N-Catalyzed Hydrosilylation of Terminal Alkynes","Organometallics","2005","24","11","2590","2596","10.1021/om050034l","","","0.71073","MoKα","","0.0661","0.0531","","","0.1435","0.156","","","","","","1.02","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4060505","12.0806","0.0011","14.202","0.0013","16.3161","0.0014","87.897","0.002","77.029","0.002","84.659","0.002","2715.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Ir2 N2 P2 Si4 -","- C44 H86 Ir2 N2 P2 Si4 -","- C88 H172 Ir4 N4 P4 Si8 -","2","1","","Jimenez, M. V.; Sola, E.; Lahoz, F. J.; Oro, L. A.","Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling","Organometallics","2005","24","11","2722","2729","10.1021/om050044m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060506","8.0028","0.0007","18.7066","0.0017","21.5672","0.0019","90","","100.095","0.002","90","","3178.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H54 Ir2 N2 O P2 -","- C29 H54 Ir2 N2 O P2 -","- C116 H216 Ir8 N8 O4 P8 -","4","1","","Jimenez, M. V.; Sola, E.; Lahoz, F. J.; Oro, L. A.","Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling","Organometallics","2005","24","11","2722","2729","10.1021/om050044m","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060507","11.2799","0.0002","13.4464","0.0004","22.9421","0.0007","81.286","0.004","77.613","0.004","73.064","0.004","3236.53","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H92 N4 P3 Si4 Ta2 -","- C60 H92 N4 P3 Si4 Ta2 -","- C120 H184 N8 P6 Si8 Ta4 -","2","1","","Shaver, Michael P.; Fryzuk, Michael D.","Phosphine-Induced Ancillary Ligand Orthometalation at a Tantalum-Tantalum Double Bond","Organometallics","2005","24","11","2606","2611","10.1021/om050045e","","","","","","","","","","","","","","","","","","","","","has coordinates","133639","2020-10-21","18:00:00",""
"4060508","11.1558","0.0008","23.487","0.0016","22.5891","0.0017","90","","84.011","0.004","90","","5886.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.2 H57.6 N3.2 P2.4 Si3.2 Ta1.6 -","- C43.2 H57.6 N3.2 P2.4 Si3.2 Ta1.6 -","- C216 H288 N16 P12 Si16 Ta8 -","5","1.25","","Shaver, Michael P.; Fryzuk, Michael D.","Phosphine-Induced Ancillary Ligand Orthometalation at a Tantalum-Tantalum Double Bond","Organometallics","2005","24","11","2606","2611","10.1021/om050045e","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060509","8.8194","0.0001","8.8964","0.0001","14.4346","0.0002","76.275","0.001","86.03","0.001","84.964","0.001","1094.59","0.02","200","2","200","2","","","","","","","","6","P -1","-P 1","2","in_paper_11","","","- C19 H25 Co O S4 Si -","- C19 H25 Co O S4 Si -","- C38 H50 Co2 O2 S8 Si2 -","2","1","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.0314","0.0263","","","0.0649","0.0673","","","","","","1.058","","","","has coordinates,has disorder","133920","2020-10-21","18:00:00",""
"4060510","9.1494","0.0003","12.4455","0.0005","22.3392","0.0008","79.022","0.001","83.8","0.001","79.226","0.001","2446.25","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in_paper_14","","","- C14 H17 Co O S4 -","- C14 H17 Co O S4 -","- C84 H102 Co6 O6 S24 -","6","3","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.1305","0.0492","","","0.0668","0.0858","","","","","","0.951","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060511","16.4714","0.0006","8.3209","0.0003","15.0158","0.0005","90","","114.331","0.001","90","","1875.23","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in_paper_15","","","- C16 H19 Co O3 S4 -","- C16 H19 Co O3 S4 -","- C64 H76 Co4 O12 S16 -","4","1","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.0566","0.0319","","","0.0613","0.0715","","","","","","1.038","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060512","7.9711","0.0001","14.6145","0.0002","17.7756","0.0001","90","","95.805","0.001","90","","2060.13","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","in_paper_16","","","- C17 H25 Co O S4 Si -","- C17 H25 Co O S4 Si -","- C68 H100 Co4 O4 S16 Si4 -","4","1","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.0411","0.0268","","","0.0573","0.0621","","","","","","1.041","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060513","10.3437","0.0006","10.4068","0.0006","14.8969","0.0009","93.53","0.001","93.912","0.001","102.042","0.001","1559.9","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","in_paper_30","","","- C35 H27 Co O2 S4 -","- C35 H27 Co O2 S4 -","- C70 H54 Co2 O4 S8 -","2","1","","Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank","CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations","Organometallics","2005","24","9","2016","2113","10.1021/om050048r","","","0.71073","MoKα","","0.0499","0.0381","","","0.0972","0.1046","","","","","","1.024","","","","has coordinates","133920","2020-10-21","18:00:00",""
"4060518","8.7062","0.0013","17.339","0.003","16.627","0.002","90","","92.716","0.002","90","","2507.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Ce I3 O4 -","- C16 H32 Ce I3 O4 -","- C64 H128 Ce4 I12 O16 -","4","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0373","0.0315","","","0.079","0.0829","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060519","22.939","0.002","7.6231","0.0008","24.024","0.003","90","","115.851","0.002","90","","3780.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 I N3 O0.5 -","- C15 H30 I N3 O0.5 -","- C120 H240 I8 N24 O4 -","8","2","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0615","0.0395","","","0.0892","0.0975","","","","","","1.054","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4060520","14.04","0.004","9.176","0.002","15.583","0.004","90","","110.878","0.004","90","","1875.8","0.8","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N3 -","- C18 H31 N3 -","- C72 H124 N12 -","4","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0645","0.0413","","","0.1016","0.117","","","","","","1.03","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4060521","5.9163","0.0004","11.0261","0.0008","11.0801","0.0008","90","","94.608","0.002","90","","720.46","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H21 Br2 N3 -","- C10 H21 Br2 N3 -","- C20 H42 Br4 N6 -","2","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0164","0.0159","","","0.0396","0.0397","","","","","","0.89","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4060522","11.036","0.0006","12.3745","0.0007","13.04","0.0007","67.205","0.002","69.663","0.002","84.149","0.002","1538.28","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H88 Br2 Ce2 N8 Si4 -","- C38 H84 Br2 Ce2 N8 Si4 -","- C38 H84 Br2 Ce2 N8 Si4 -","1","0.5","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0309","0.0272","","","0.0675","0.0688","","","","","","1.084","","","","has coordinates","133867","2020-10-21","18:00:00",""
"4060523","12.431","0.002","16.307","0.003","19.037","0.004","90","","106.456","0.003","90","","3701.2","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H60 Ce N5 Si4 -","- C25 H60 Ce N5 Si4 -","- C100 H240 Ce4 N20 Si16 -","4","1","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0342","0.0289","","","0.0658","0.068","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060524","11.1998","0.0007","11.5465","0.0008","12.7282","0.0008","70.256","0.002","83.553","0.002","64.661","0.002","1399.17","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H84 Ce2 I2 N8 Si4 -","- C38 H84 Ce2 I2 N8 Si4 -","- C38 H84 Ce2 I2 N8 Si4 -","1","0.5","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0229","0.0199","","","0.047","0.0485","","","","","","1.047","","","","has coordinates","133867","2020-10-21","18:00:00",""
"4060525","24.287","0.004","21.23","0.004","14.748","0.002","90","","104.499","0.004","90","","7362","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H108 Ce2 I2 N8 Si4 -","- C38 H84 Ce2 I2 N8 Si4 -","- C152 H336 Ce8 I8 N32 Si16 -","4","0.5","","Liddle, Stephen T.; Arnold, Polly L.","Synthesis of Heteroleptic Cerium(III) Anionic Amido-Tethered N-Heterocyclic Carbene Complexes","Organometallics","2005","24","11","2597","2605","10.1021/om050061b","","","0.71073","MoKα","","0.0663","0.0587","","","0.1299","0.133","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060526","13.1726","0.001","15.3578","0.0011","16.8018","0.0013","116.426","0.001","107.284","0.001","96.207","0.001","2789.2","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H48 Cl N6 O9 Ru2 -","- C47 H48 Cl N6 O9 Ru2 -","- C94 H96 Cl2 N12 O18 Ru4 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.0969","0.0645","","","0.1892","0.2059","","","","","","1.021","","","","has coordinates","209821","2020-10-21","18:00:00",""
"4060527","15.3752","0.0019","17.5213","0.0017","18.281","0.003","80.346","0.015","82.948","0.014","66.348","0.009","4438.8","1","293","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H93 N8 O6 Ru2 Si3 -","- C79 H93 N8 O6 Ru2 Si3 -","- C158 H186 N16 O12 Ru4 Si6 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.1404","0.0665","","","0.1823","0.1955","","","","","","1.028","","","","has coordinates,has disorder","209821","2020-10-21","18:00:00",""
"4060528","21.2595","0.0007","10.4058","0.0004","33.1698","0.0011","90","","107.811","0.001","90","","6986.2","0.4","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H73 I N8 O6 Ru2 Si2 -","- C68 H73 I N8 O6 Ru2 Si2 -","- C272 H292 I4 N32 O24 Ru8 Si8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.1368","0.0532","","","0.0781","0.1035","","","","","","1.006","","","","has coordinates","209821","2020-10-21","18:00:00",""
"4060529","9.8249","0.0004","12.2573","0.0005","17.0168","0.0007","109.913","0.001","90.523","0.001","93.375","0.001","1922.48","0.14","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 Cl3 N4 O9 Ru2 -","- C35 H38 Cl3 N4 O9 Ru2 -","- C70 H76 Cl6 N8 O18 Ru4 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.0421","0.0326","","","0.071","0.0732","","","","","","1.01","","","","has coordinates","209821","2020-10-21","18:00:00",""
"4060530","22.1088","0.0009","17.002","0.0007","22.1884","0.0009","90","","93.66","0.001","90","","8323.5","0.6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H86 Fe2 N8 O5 Ru2 -","- C92 H85 Fe2 N8 O5 Ru2 -","- C368 H340 Fe8 N32 O20 Ru8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.087","0.0496","","","0.1224","0.1399","","","","","","1.009","","","","has coordinates,has disorder","209821","2020-10-21","18:00:00",""
"4060531","13.9277","0.0009","20.2552","0.0011","23.2474","0.0014","69.391","0.001","83.568","0.001","89.617","0.001","6096.2","0.6","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H120 I4 N16 O8 Ru4 -","- C128 H120 I4 N16 O8 Ru4 -","- C256 H240 I8 N32 O16 Ru8 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds","Organometallics","2005","24","11","2660","2669","10.1021/om050068t","","","0.71073","MoKα","","0.0774","0.0444","","","0.0989","0.1079","","","","","","1.007","","","","has coordinates","209821","2020-10-21","18:00:00",""
"4060532","15.3775","0.0007","8.4994","0.0003","9.2423","0.0005","90","","90","","90","","1207.96","0.1","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C21 H31 F6 Ir N3 O2 P -","- C21 H31 F6 Ir N3 O2 P -","- C42 H62 F12 Ir2 N6 O4 P2 -","2","0.5","","Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma","Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)","Organometallics","2005","24","8","1799","1802","10.1021/om050073x","","","","","","","","","","","","","","","","","","","","","has coordinates","133900","2020-10-21","18:00:00",""
"4060533","8.2524","0.0005","16.0006","0.001","9.4409","0.0006","90","","91.441","0.005","90","","1246.21","0.13","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl F6 Ir N3 O2 P -","- C20 H28 Cl F6 Ir N3 O2 P -","- C40 H56 Cl2 F12 Ir2 N6 O4 P2 -","2","1","","Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma","Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)","Organometallics","2005","24","8","1799","1802","10.1021/om050073x","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060534","8.6482","0.0008","10.7943","0.001","11.8122","0.0011","64.442","0.001","75.631","0.002","88.124","0.002","960.17","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Br Ir N2 -","- C21 H26 Br Ir N2 -","- C42 H52 Br2 Ir2 N4 -","2","1","","Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.","Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation","Organometallics","2005","24","9","2203","2209","10.1021/om0500873","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060535","29.6219","0.0012","10.7321","0.0004","17.8342","0.0007","90","","97.589","0.001","90","","5619.9","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 B Cl6 F4 Ir N2 -","- C23 H28 B Cl6 F4 Ir N2 -","- C184 H224 B8 Cl48 F32 Ir8 N16 -","8","1","","Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.","Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation","Organometallics","2005","24","9","2203","2209","10.1021/om0500873","","","","","","","","","","","","","","","","","","","","","has coordinates","210322","2020-10-21","18:00:00",""
"4060536","34.958","0.003","7.5715","0.0006","17.765","0.0014","90","","98.403","0.002","90","","4651.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Br Ir N2 -","- C24.5 H30.02 Br Ir N2 -","- C196 H240.16 Br8 Ir8 N16 -","8","1","","Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.","Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation","Organometallics","2005","24","9","2203","2209","10.1021/om0500873","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210322","2020-10-21","18:00:00",""
"4060551","12.9274","0.0015","13.2281","0.0016","15.4074","0.0017","97.937","0.003","91.704","0.003","92.349","0.002","2605.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H45 Cl3 N5 O2 Rh -","- C59 H45 Cl3 N5 O2 Rh -","- C118 H90 Cl6 N10 O4 Rh2 -","2","1","","Yeung, Siu Kwan; Chan, Kin Shing","1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls","Organometallics","2005","24","11","2561","2563","10.1021/om0501475","","","0.71073","MoKα","","0.2207","0.0979","","","0.2547","0.3306","","","","","","0.963","","","","has coordinates","133847","2020-10-21","18:00:00",""
"4060552","13.838","0.003","27.97","0.006","15.52","0.003","90","","96.2","0.03","90","","5972","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 N5 Rh -","- C64 H54 N5 Rh -","- C256 H216 N20 Rh4 -","4","1","","Yeung, Siu Kwan; Chan, Kin Shing","1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls","Organometallics","2005","24","11","2561","2563","10.1021/om0501475","","","0.71073","MoKα","","0.1063","0.0827","","","0.219","0.2377","","","","","","1.176","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060553","13.263","0.003","13.699","0.003","14.462","0.003","94.28","0.03","100.58","0.03","113.76","0.03","2331.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 N5 O Rh -","- C54 H46 N5 O Rh -","- C108 H92 N10 O2 Rh2 -","2","1","","Yeung, Siu Kwan; Chan, Kin Shing","1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls","Organometallics","2005","24","11","2561","2563","10.1021/om0501475","","","0.71073","MoKα","","0.0671","0.0661","","","0.2192","0.2214","","","","","","1.11","","","","has coordinates","133847","2020-10-21","18:00:00",""
"4060554","14.32","0.0006","16.7241","0.0007","18.8792","0.0008","99.497","0.001","98.636","0.001","93.273","0.001","4393.3","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H81 N11 O6 Ru2 Si2 -","- C91 H81 N11 O6 Ru2 Si2 -","- C182 H162 N22 O12 Ru4 Si4 -","2","1","","Xu, Guo-Lin; Ren, Tong","Covalent Modification of Diruthenium Metallaynes: A Novel Application of “Click” Reaction in Organometallic Chemistry","Organometallics","2005","24","11","2564","2566","10.1021/om0501632","","","0.71073","MoKα","","0.1119","0.0499","","","0.1053","0.1215","","","","","","0.996","","","","has coordinates","133848","2020-10-21","18:00:00",""
"4060555","22.9842","0.0007","20.0256","0.0006","19.5247","0.0006","90","","98.752","0.001","90","","8882","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H87 N14 O6 Ru2 Si -","- C93 H87 N14 O6 Ru2 Si -","- C372 H348 N56 O24 Ru8 Si4 -","4","1","","Xu, Guo-Lin; Ren, Tong","Covalent Modification of Diruthenium Metallaynes: A Novel Application of “Click” Reaction in Organometallic Chemistry","Organometallics","2005","24","11","2564","2566","10.1021/om0501632","","","0.71073","MoKα","","0.1689","0.0577","","","0.0924","0.1162","","","","","","1.006","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4061413","9.0545","0.0001","15.0141","0.0002","29.1285","0.0003","90","","90","","90","","3959.88","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bisdimethylsulfoxide-bis(2-tolyl)platinum","cis-syn-Bisdimethylsulfoxide-bis(2-tolyl)platinum(II)","","- C18 H26 O2 Pt S2 -","- C18 H26 O2 Pt S2 -","- C144 H208 O16 Pt8 S16 -","8","1","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.0745","0.0544","","","0.1166","0.1212","","","","","","1.447","","","","has coordinates","133898","2020-10-21","18:00:00",""
"4061414","9.1368","0.0018","9.384","0.0019","12.224","0.002","90","","97.83","0.03","90","","1038.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trans-(dmso)2Pt(Xyl)2","","","- C20 H30 O2 Pt S2 -","- C20 H30 O2 Pt S2 -","- C40 H60 O4 Pt2 S4 -","2","0.5","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.0534","0.0424","","","0.1145","0.1233","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061423","13.277","0.002","15.354","0.003","17.415","0.003","90","","90","","90","","3550","1","250","2","250","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cl2 F3 N2 O3 Rh S -","- C38 H36 Cl2 F3 N2 O3 Rh S -","- C152 H144 Cl8 F12 N8 O12 Rh4 S4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061424","13.1017","0.0008","15.3873","0.0009","17.6382","0.0011","90","","90","","90","","3555.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H49 N2 O2 Rh -","- C44 H49 N2 O2 Rh -","- C176 H196 N8 O8 Rh4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061425","10.9913","0.0007","17.388","0.0012","22.5209","0.0015","90","","90","","90","","4304.1","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 F6 N4 P Rh -","- C48 H42 F6 N4 P Rh -","- C192 H168 F24 N16 P4 Rh4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061426","9.8579","0.0006","20.2719","0.0012","11.175","0.0007","90","","115","0.001","90","","2024","0.2","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H44 Cl Ir N2 O -","- C52 H44 Cl Ir N2 O -","- C104 H88 Cl2 Ir2 N4 O2 -","2","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N‒H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","209048","2020-10-21","18:00:00",""
"4061444","9.105","0.001","24.945","0.005","9.626","0.001","90","","99.16","0.05","90","","2158.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N2 O P Pd -","- C23 H25 N2 O P Pd -","- C92 H100 N8 O4 P4 Pd4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061445","9.258","0.001","10.199","0.001","14.834","0.002","80.986","0.005","73.696","0.005","78.136","0.005","1308.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H26 F3 N2 O4 P Pd S -","- C24 H26 F3 N2 O4 P Pd S -","- C48 H52 F6 N4 O8 P2 Pd2 S2 -","2","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061446","9.294","0.0002","11.457","0.0002","11.615","0.0003","86.9","0.0008","80.43","0.0007","72.98","0.0011","1166.14","0.04","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H25 Au Cl N2 O P Pd -","- C23 H25 Au Cl N2 O P Pd -","- C46 H50 Au2 Cl2 N4 O2 P2 Pd2 -","2","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061447","9.762","0.0002","19.412","0.0005","15.588","0.0004","90","","98.553","0.0009","90","","2921.07","0.12","173","2","173","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Au B F4 N2 O P Pd S -","- C27 H33 Au B F4 N2 O P Pd S -","- C108 H132 Au4 B4 F16 N8 O4 P4 Pd4 S4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061448","10.086","0.0001","13.205","0.0002","21.259","0.0003","90.27","0.05","92.78","0.04","99.31","0.09","2790.6","0.7","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C48 H54 Au B Cl4 F4 N4 O2 P2 Pd2 -","- C48 H54 Au B Cl4 F4 N4 O2 P2 Pd2 -","- C96 H108 Au2 B2 Cl8 F8 N8 O4 P4 Pd4 -","2","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061449","12.13","0.002","18.709","0.003","20.621","0.003","90","","90.93","0.05","90","","4679.1","1.3","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 B Cu F4 N4 O2 P2 Pd2 -","- C46 H50 B Cu F4 N4 O2 P2 Pd2 -","- C184 H200 B4 Cu4 F16 N16 O8 P8 Pd8 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Palladium Phosphino-Iminolate Complexes as Metalloligands for Coinage Metals: A Versatile, Ambivalent Behavior","Organometallics","2005","24","13","3149","3157","10.1021/om050156d","","","","","","","","","","","","","","","","","","","","","has coordinates","219030","2020-10-21","18:00:00",""
"4061467","11.1033","0.0002","10.5715","0.0002","8.2212","0.0001","90","","90","","90","","964.99","0.03","133","1","133","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H12 Zr -","- C12 H12 Zr -","- C48 H48 Zr4 -","4","0.5","","Tamm, M.; Kunst, A.; Bannenberg, T.; Herdtweck, E.; Schmid, R.","Cycloheptatrienyl-Cyclopentadienlyl-Zirconium Sandwich Complexes: Structure and Bonding","Organometallics","2005","24","13","3163","3171","10.1021/om050192c","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061468","8.3304","0.0001","18.5959","0.0002","10.1241","0.0001","90","","90","","90","","1568.34","0.03","133","1","133","1","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C17 H21 N Zr -","- C17 H21 N Zr -","- C68 H84 N4 Zr4 -","4","0.5","","Tamm, M.; Kunst, A.; Bannenberg, T.; Herdtweck, E.; Schmid, R.","Cycloheptatrienyl-Cyclopentadienlyl-Zirconium Sandwich Complexes: Structure and Bonding","Organometallics","2005","24","13","3163","3171","10.1021/om050192c","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061469","9.7611","0.0008","13.0367","0.001","12.7297","0.001","90","","100.66","0.007","90","","1591.9","0.2","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Fe Si2 -","- C16 H22 Fe Si2 -","- C64 H88 Fe4 Si8 -","4","1","","Majchrzak, Mariusz; Marciniec, Bogdan; Kubicki, Maciej; Pawełczyk, Adam","Highly Selective Synthesis and Structural Characterization of Bis(silyl)-[3]-ferrocenophane Derivatives","Organometallics","2005","24","15","3731","3736","10.1021/om050194x","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061470","8.9732","0.0009","14.521","0.0011","22.7141","0.0016","90","","90","","90","","2959.6","0.4","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 Fe Si2 -","- C36 H30 Fe Si2 -","- C144 H120 Fe4 Si8 -","4","1","","Majchrzak, Mariusz; Marciniec, Bogdan; Kubicki, Maciej; Pawełczyk, Adam","Highly Selective Synthesis and Structural Characterization of Bis(silyl)-[3]-ferrocenophane Derivatives","Organometallics","2005","24","15","3731","3736","10.1021/om050194x","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061473","10.1593","0.0018","10.5154","0.0019","12.654","0.002","81.386","0.004","70.138","0.004","76.824","0.004","1234.1","0.4","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H64 F12 Ni O2 P2 Ru2 S6 -","- C38 H64 F12 Ni O2 P2 Ru2 S6 -","- C38 H64 F12 Ni O2 P2 Ru2 S6 -","1","0.5","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates","133725","2020-10-21","18:00:00",""
"4061474","40.8312","0.0014","12.0357","0.0004","18.0096","0.0006","90","","92.005","0.001","90","","8845.1","0.5","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 F12 Ni O P2 Ru2 S6 -","- C31 H52 F12 Ni O P2 Ru2 S6 -","- C248 H416 F96 Ni8 O8 P16 Ru16 S48 -","8","2","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178511","2020-10-21","18:00:00",""
"4061475","12.019","0.003","12.32","0.003","12.471","0.003","62.461","0.004","63.603","0.005","77.387","0.005","1466.6","0.6","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H29 Cu F12 N2 P2 Ru S3 -","- C18 H29 Cu F12 N2 P2 Ru S3 -","- C36 H58 Cu2 F24 N4 P4 Ru2 S6 -","2","1","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133725","2020-10-21","18:00:00",""
"4061476","12.2374","0.0005","17.5939","0.0007","22.0809","0.0009","71.783","0.001","74.961","0.001","72.241","0.001","4229.3","0.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C28.25 H48 Cu F12 O0.5 P2 Ru2 S6 -","- C28.25 H47 Cu F12 O0.5 P2 Ru2 S6 -","- C113 H188 Cu4 F48 O2 P8 Ru8 S24 -","4","2","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061477","12.5958","0.0008","14.3941","0.0009","16.0703","0.001","64.515","0.001","70.111","0.001","86.317","0.001","2461.6","0.3","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H62 Cu F12 N O P2 Ru2 S6 -","- C36 H62 Cu F12 N O P2 Ru2 S6 -","- C72 H124 Cu2 F24 N2 O2 P4 Ru4 S12 -","2","1","","Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.","Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}","Organometallics","2005","24","17","4265","4273","10.1021/om050200p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133725","2020-10-21","18:00:00",""
"4061478","10.3334","0.0002","24.8889","0.0005","16.5983","0.0004","90","","92.251","0.001","90","","4265.57","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 B2 Cl2 O4 Ti -","- C44 H60 B2 Cl2 O4 Ti -","- C176 H240 B8 Cl8 O16 Ti4 -","4","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061479","10.303","0.0001","25.2472","0.0003","16.7087","0.0002","90","","91.582","0.001","90","","4344.64","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 B2 Cl2 Hf O4 -","- C44 H60 B2 Cl2 Hf O4 -","- C176 H240 B8 Cl8 Hf4 O16 -","4","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061480","14.075","0.0003","15.3388","0.0003","16.1859","0.0004","99.632","0.001","115.774","0.001","94.824","0.001","3053.63","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[{Zr(OH)(OBMes2)3}2].4(pentane)","","","- C128 H182 B6 O8 Zr2 -","- C128 H182 B6 O8 Zr2 -","- C128 H182 B6 O8 Zr2 -","1","0.5","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","133705","2020-10-21","18:00:00",""
"4061481","14.9688","0.0007","19.8758","0.0011","17.3339","0.001","90","","90","","90","","5157.1","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 B Cl2 O Ti -","- C27 H35 B Cl2 O Ti -","- C216 H280 B8 Cl16 O8 Ti8 -","8","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061482","8.2133","0.0003","24.4108","0.0009","12.7151","0.0006","90","","92.471","0.002","90","","2546.92","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B Cl O Ti -","- C28 H32 B Cl O Ti -","- C112 H128 B4 Cl4 O4 Ti4 -","4","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4061483","14.0992","0.0007","14.595","0.0007","17.1898","0.0009","93.847","0.002","95.609","0.002","118.391","0.002","3070.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[B(CH2Ph){OB(mes)2}3].pentane","","","- C66 H85 B3 O3 Ti -","- C66 H85 B3 O3 Ti -","- C132 H170 B6 O6 Ti2 -","2","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061484","12.2043","0.0004","15.7658","0.0004","16.3282","0.0006","105.18","0.002","94.64","0.002","104.603","0.002","2897.62","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H79 B3 Hf O3 -","- C63.5 H73 B3 Hf O3 -","- C127 H146 B6 Hf2 O6 -","2","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061485","23.147","0.002","14.8478","0.0007","21.429","0.002","90","","119.35","0.003","90","","6419.4","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H88 B4 Hf O4 -","- C72 H88 B4 Hf O4 -","- C288 H352 B16 Hf4 O16 -","4","0.5","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061490","19.2407","0.0002","18.5432","0.0002","18.649","0.0002","90","","115.655","0.0005","90","","5997.74","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H54 N3 Sc Si3 -","- C21 H54 N3 Sc Si3 -","- C168 H432 N24 Sc8 Si24 -","8","2","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061491","12.4871","0.0002","16.0885","0.0002","24.0879","0.0003","90","","101.265","0.0004","90","","4745.99","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H71 N6 Sc Si3 -","- C42 H71 N6 Sc Si3 -","- C168 H284 N24 Sc4 Si12 -","4","1","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061492","11.0526","0.0002","11.6252","0.0002","17.135","0.0003","81.8126","0.0009","85.5181","0.0008","71.3772","0.0007","2063.86","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H55 N6 Si3 Y -","- C28 H55 N6 Si3 Y -","- C56 H110 N12 Si6 Y2 -","2","1","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4061493","14.7505","0.0006","14.7505","0.0006","15.417","0.0004","90","","90","","120","","2905","0.2","150","","150","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C64 H73 N6 O3 Sc -","- C64 H73 N6 O3 Sc -","- C128 H146 N12 O6 Sc2 -","2","0.333333","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","133797","2020-10-21","18:00:00",""
"4061494","10.0211","0.0001","30.7707","0.0003","16.9809","0.0002","90","","95.1016","0.0003","90","","5215.42","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cl5 N6 Si Y -","- C17 H26 Cl5 N6 Si Y -","- C136 H208 Cl40 N48 Si8 Y8 -","8","2","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061495","7.5676","0.0002","12.1539","0.0004","7.878","0.0002","90","","118.515","0.0014","90","","636.69","0.03","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H15 Cl3 N3 Sc -","- C6 H15 Cl3 N3 Sc -","- C12 H30 Cl6 N6 Sc2 -","2","0.5","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061496","13.3324","0.0005","14.1401","0.0007","21.4","0.001","90","","90.67","0.003","90","","4034","0.9","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 N3 O3 Sc -","- C43 H60 N3 O3 Sc -","- C172 H240 N12 O12 Sc4 -","4","1","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","0.0658","","","0.0636","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4061498","6.261","0.002","7.694","0.002","8.027","0.003","68.77","0.03","104.97","0.03","106.07","0.03","340.91","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 I2 N2 O2 Pd -","- C8 H10 I2 N2 O2 Pd -","- C8 H10 I2 N2 O2 Pd -","1","0.5","","Tubaro, Cristina; Biffis, Andrea; Basato, Marino; Benetollo, Franco; Cavell, Kingsley J.; Ooi, Li-ling","A Simple Route to Novel Palladium(II) Catalysts with Oxazolin-2-ylidene Ligands","Organometallics","2005","24","17","4153","4158","10.1021/om050222b","","","","","","","","","","","","","","","","","","","","","has coordinates","219016","2020-10-21","18:00:00",""
"4061499","11.825","0.0002","13.276","0.0002","13.305","0.0002","78.086","0.001","73.935","0.001","85.033","0.001","1962.97","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Br2 N2 O3 Pd S -","- C16 H18 Br2 N2 O3 Pd S -","- C64 H72 Br8 N8 O12 Pd4 S4 -","4","2","","Tubaro, Cristina; Biffis, Andrea; Basato, Marino; Benetollo, Franco; Cavell, Kingsley J.; Ooi, Li-ling","A Simple Route to Novel Palladium(II) Catalysts with Oxazolin-2-ylidene Ligands","Organometallics","2005","24","17","4153","4158","10.1021/om050222b","","","","","","","","","","","","","","","","","","","","","has coordinates","219016","2020-10-21","18:00:00",""
"4061504","9.4557","0.0018","15.478","0.003","29.805","0.006","90","","95.351","0.003","90","","4343.1","1.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 B Cl2 N2 P Rh -","- C51 H53 B Cl2 N2 P Rh -","- C204 H212 B4 Cl8 N8 P4 Rh4 -","4","1","","Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter","Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand","Organometallics","2005","24","17","4241","4250","10.1021/om050235p","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061505","9.456","0.002","15.486","0.003","29.798","0.006","90","","95.295","0.004","90","","4344.7","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 B Cl2 Ir N2 P -","- C51 H53 B Cl2 Ir N2 P -","- C204 H212 B4 Cl8 Ir4 N8 P4 -","4","1","","Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter","Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand","Organometallics","2005","24","17","4241","4250","10.1021/om050235p","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061506","16.559","0.003","14.696","0.003","17.164","0.003","90","","99.314","0.003","90","","4121.9","1.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H51 B Ir N2 O P -","- C51 H51 B Ir N2 O P -","- C204 H204 B4 Ir4 N8 O4 P4 -","4","1","","Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter","Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand","Organometallics","2005","24","17","4241","4250","10.1021/om050235p","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061534","14.0919","0.0005","7.7544","0.0003","13.6632","0.0006","90","","112.552","0.002","90","","1378.87","0.09","180","1","180","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H23 O2 Y -","- C13 H23 O2 Y -","- C52 H92 O8 Y4 -","4","0.5","","Sanchez-Barba, L. F.; Hughes, D. L.; Humphrey, S. M.; Bochmann, M.","New bis(allyl)(diketiminato) and tris(allyl) lanthanide complexes and their reactivity in the polymerization of polar monomers","Organometallics","2005","24","15","3792","3799","10.1021/om050309x","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061535","14.1965","0.0003","7.8233","0.0002","13.6478","0.0004","90","","111.553","0.001","90","","1409.79","0.06","180","1","180","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H23 O2 Sm -","- C13 H23 O2 Sm -","- C52 H92 O8 Sm4 -","4","0.5","","Sanchez-Barba, L. F.; Hughes, D. L.; Humphrey, S. M.; Bochmann, M.","New bis(allyl)(diketiminato) and tris(allyl) lanthanide complexes and their reactivity in the polymerization of polar monomers","Organometallics","2005","24","15","3792","3799","10.1021/om050309x","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061536","10.9089","0.0003","12.3956","0.0003","13.9731","0.0004","65.071","0.0018","78.7228","0.0014","73.3055","0.0012","1635.17","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H51 N2 Sm -","- C35 H51 N2 Sm -","- C70 H102 N4 Sm2 -","2","1","","Sanchez-Barba, L. F.; Hughes, D. L.; Humphrey, S. M.; Bochmann, M.","New bis(allyl)(diketiminato) and tris(allyl) lanthanide complexes and their reactivity in the polymerization of polar monomers","Organometallics","2005","24","15","3792","3799","10.1021/om050309x","","","","","","","","","","","","","","","","","","","","","has coordinates","133694","2020-10-21","18:00:00",""
"4061546","14.109","0.0009","42.263","0.003","12.823","0.0009","90","","90","","90","","7646.2","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H25.5 S3 U0.75 -","- C18 H25.5 S3 U0.75 -","- C288 H408 S48 U12 -","16","2","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061547","10.4409","0.0008","14.6021","0.0011","17.9446","0.0016","85.219","0.003","84.274","0.005","80.661","0.006","2679.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H82 Na O9 S4 U -","- C48 H82 Na O9 S4 U -","- C96 H164 Na2 O18 S8 U2 -","2","1","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","133625","2020-10-21","18:00:00",""
"4061548","13.8911","0.0017","16.0128","0.0014","16.037","0.002","90","","98.48","0.015","90","","3528.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 Ce2 K2 O4 S8 -","- C64 H100 Ce2 K2 O4 S8 -","- C128 H200 Ce4 K4 O8 S16 -","2","0.5","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061549","13.8713","0.0019","15.9521","0.0015","16.005","0.002","90","","98.245","0.016","90","","3504.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 K2 Nd2 O4 S8 -","- C64 H100 K2 Nd2 O4 S8 -","- C128 H200 K4 Nd4 O8 S16 -","2","0.5","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061550","19.6644","0.0014","16.4421","0.0011","16.6911","0.0007","90","","113.32","0.004","90","","4955.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 Ce K O10 S4 -","- C44 H54 Ce K O10 S4 -","- C176 H216 Ce4 K4 O40 S16 -","4","1","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061551","16.0585","0.0008","16.3685","0.0004","22.3656","0.001","74.497","0.003","74.89","0.002","81.053","0.003","5445.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H80 Ce K O10 S4 -","- C46.5 H80 Ce K O10 S4 -","- C186 H320 Ce4 K4 O40 S16 -","4","2","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4061552","16.0122","0.0007","16.3506","0.0013","22.3555","0.0017","74.262","0.003","75.035","0.004","80.836","0.005","5417.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H80 K Nd O10 S4 -","- C46.5 H80 K Nd O10 S4 -","- C186 H320 K4 Nd4 O40 S16 -","4","2","","Roger, M.; Belkhiri, L.; Thuéry, P.; Arliguie, T.; Fourmigué, M.; Boucekkine, A.; Ephritikhine, M.","Lanthanide(III) / Actinide(III) Differentiation in Mixed Cyclopentadienyl / Dithiolene Compounds from X-Ray Diffraction and Density Functional Theory Analysis","Organometallics","2005","24","21","4940","4952","10.1021/om050329z","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061585","22.4","0.007","15.332","0.005","6.956","0.002","90","","90","","90","","2388.9","1.4","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H31 B10 Rh Se2 -","- C15 H31 B10 Rh Se2 -","- C60 H124 B40 Rh4 Se8 -","4","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061586","9.8867","0.0013","22.777","0.003","24.723","0.003","90","","92.101","0.002","90","","5563.6","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H62 B20 Mo O2 Rh2 S4 -","- C32 H62 B20 Mo O2 Rh2 S4 -","- C128 H248 B80 Mo4 O8 Rh8 S16 -","4","1","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061587","9.991","0.003","23.134","0.006","24.827","0.006","90","","92.53","0.005","90","","5733","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H62 B20 Mo O2 Rh2 Se4 -","- C32 H62 B20 Mo O2 Rh2 Se4 -","- C128 H248 B80 Mo4 O8 Rh8 Se16 -","4","1","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061588","11.221","0.002","18.01","0.004","11.883","0.003","90","","107.027","0.003","90","","2296.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H64 B10 Rh2 S2 -","- C34 H60 B10 Rh2 S2 -","- C68 H120 B20 Rh4 S4 -","2","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061589","20.67","0.05","20.67","0.05","29.81","0.11","90","","90","","120","","11035","57","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C30 H62 B20 Ni Rh2 S4 -","- C30 H62 B20 Ni Rh2 S4 -","- C270 H558 B180 Ni9 Rh18 S36 -","9","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061590","20.882","0.002","20.882","0.002","30.075","0.005","90","","90","","120","","11357","2","298","2","298","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C30 H62 B20 Ni Rh2 Se4 -","- C30 H62 B20 Ni Rh2 Se4 -","- C270 H558 B180 Ni9 Rh18 Se36 -","9","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061595","11.311","0.003","25.042","0.004","45.647","0.003","90","","90","","90","","12930","4","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H93 B Fe N2 O0 P4 -","- C69 H93 B Fe N2 P4 -","- C552 H744 B8 Fe8 N16 P32 -","8","1","","Venâncio, Ana I. F.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Allenylidene Iron(II) Complexes and Their Deprotonation, Nucleophilic Addition Reactions and Cathodic Protonation toward Alkynyl Derivatives, a Chemical and Electrochemistry Study","Organometallics","2005","24","19","4654","4665","10.1021/om050408a","","","","","","","","","","","","","","","","","","","","","has coordinates","133619","2020-10-21","18:00:00",""
"4061615","10.4566","0.0008","11.1476","0.0007","11.9708","0.0006","74.971","0.005","85.341","0.005","84.28","0.006","1338.72","0.15","180","2","180","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 B Cl2 N6 Nb -","- C24 H30 B Cl2 N6 Nb -","- C48 H60 B2 Cl4 N12 Nb2 -","2","1","","Oulié, Pascal; Bréfuel, Nicolas; Vendier, Laure; Duhayon, Carine; Etienne, Michel","A New Way to Scorpionate Niobium Complexes: Terminal Alkyne, Imido and Oxo Complexes, and the Rearrangement of a-Agostic Ethyl Complexes","Organometallics","2005","24","17","4306","4314","10.1021/om050423f","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061616","13.909","0.005","16.844","0.005","17.769","0.005","72.442","0.005","71.083","0.005","70.172","0.005","3617.7","2","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C18 H23 B Cl2 F3 N6 Nb O0.33 -","- C18 H23 B Cl2 F3 N6 Nb O0.333333 -","- C108 H138 B6 Cl12 F18 N36 Nb6 O2 -","6","3","","Oulié, Pascal; Bréfuel, Nicolas; Vendier, Laure; Duhayon, Carine; Etienne, Michel","A New Way to Scorpionate Niobium Complexes: Terminal Alkyne, Imido and Oxo Complexes, and the Rearrangement of a-Agostic Ethyl Complexes","Organometallics","2005","24","17","4306","4314","10.1021/om050423f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061667","5.96","0.018","7.71","0.01","31.23","0.03","90","","90","","90","","1435","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O Se -","- C16 H16 O Se -","- C64 H64 O4 Se4 -","4","1","","Das, Jaya Prakash; Roy, Ujjal Kanti; Roy, Sujit","Synthesis of Alkynyl and Vinyl Selenides via Selenodecarboxylation of Arylpropiolic and Cinnamic Acids","Organometallics","2005","24","25","6136","6140","10.1021/om050504b","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061749","14.685","0.0001","18.1332","0.0001","17.2624","0.0001","90","","90","","90","","4596.74","0.05","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 La -","- C18 H39 Al2 La -","- C144 H312 Al16 La8 -","8","1","","Dietrich, M. H.; Zapilko, C.; Herdtweck, E.; Anwander, R.","Ln(AlMe~4~)~3~ as New Synthetic Precursors in Organolanthanide Chemistry: Efficient Access to Half-Sandwich Hydrocarbyl Complexes","Organometallics","2005","24","23","5767","5771","10.1021/om0506163","","","0.71073","MoKα","","0.0317","0.0222","","","0.0504","0.0537","","","","","","1.059","","","","has coordinates","297721","2025-02-13","15:45:08",""
"4061764","13.296","0.001","17.017","0.001","14.262","0.001","90","","94.792","0.005","90","","3215.6","0.8","175","","175","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N4 Si2 Zr -","- C30 H46 N4 Si2 Zr -","- C120 H184 N16 Si8 Zr4 -","4","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0564","","","0.0424","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061765","25.584","0.001","25.584","0.001","8.459","0.001","90","","90","","90","","5536","0.9","175","","175","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23 H39 Cl N4 Si2 Zr -","- C23 H39 Cl N4 Si2 Zr -","- C184 H312 Cl8 N32 Si16 Zr8 -","8","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0692","","","0.0647","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061766","9.8632","0.0004","18.413","0.001","17.507","0.001","90","","90","","90","","3179.4","0.8","170","","170","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C28 H49 N5 Si2 Ti -","- C28 H48.5 N5 Si2 Ti -","- C112 H194 N20 Si8 Ti4 -","4","0.5","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0574","","","0.0434","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061767","9.586","0.001","16.247","0.001","20.632","0.002","90","","103.3","0.01","90","","3127","1","175","","175","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H52 N6 Si2 Zr -","- C25 H52 N6 Si2 Zr -","- C100 H208 N24 Si8 Zr4 -","4","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0253","","","0.026","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061768","12.828","0.001","14.178","0.002","31.148","0.003","90","","100.19","0.03","90","","5576","1","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H41 Cl N5 Si2 Ta -","- C20 H41 Cl N5 Si2 Ta -","- C160 H328 Cl8 N40 Si16 Ta8 -","8","2","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0246","","","0.0293","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061769","14.8201","0.0005","6.2365","0.0002","16.7248","0.0007","90","","107.934","0.002","90","","1470.7","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061770","11.0613","0.0002","13.2371","0.0002","20.4745","0.0004","107.255","0.0008","95.4488","0.0008","95.4178","0.0009","2826.21","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H88 N4 O4 Si4 Zr2 -","- C22 H44 N2 O2 Si2 Zr -","- C88 H176 N8 O8 Si8 Zr4 -","4","2","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","","","","","","","","","","","","","","","has coordinates","133707","2020-10-21","18:00:00",""
"4061786","10.6604","0.0002","12.9606","0.0002","19.4184","0.0003","90","","90","","90","","2682.95","0.08","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Br3 Cl2 N4 O2 Rh -","- C19 H28 Br3 Cl2 N4 O2 Rh -","- C76 H112 Br12 Cl8 N16 O8 Rh4 -","4","1","","Schneider, Nathanaëlle; César, Vincent; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Modular Assembly of a Chiral Bis(oxazolinyl)carbene: A New Meridionally Coordinating Tridentate Spectator Ligand","Organometallics","2005","24","21","4886","4888","10.1021/om0506769","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061794","18.0898","0.0009","10.2167","0.0005","15.1416","0.0007","90","","90","","90","","2798.4","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[RuCp(eta^3^-(P,C,C)-PPh~2~CHC-(CH~2~)~3~-eta^2^-(C,C)-CCHNEt~2~)]PF~6~","","","- C28 H33 F6 N P2 Ru -","- C28 H33 F6 N P2 Ru -","- C112 H132 F24 N4 P8 Ru4 -","4","1","","Pavlik, Sonja; Jantscher, Florian; Mereiter, Kurt; Kirchner, Karl","Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the P-N Bond of an Aminophosphine Ligand.","Organometallics","2005","24","21","4899","4901","10.1021/om050688u","","","","","","","","","","","","","","","","","","","","","has coordinates","133699","2020-10-21","18:00:00",""
"4061795","20.491","0.001","9.6657","0.0005","14.5136","0.0007","90","","90","","90","","2874.6","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","[RuCp(eta^1^-(P)-PPh~2~CH=C-(CH~2~)~4~-eta^3^-(C,C,N)-CCHNEt~2~)]PF~6~","","","- C29 H35 F6 N P2 Ru -","- C29 H35 F6 N P2 Ru -","- C116 H140 F24 N4 P8 Ru4 -","4","1","","Pavlik, Sonja; Jantscher, Florian; Mereiter, Kurt; Kirchner, Karl","Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the P-N Bond of an Aminophosphine Ligand.","Organometallics","2005","24","21","4899","4901","10.1021/om050688u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133699","2020-10-21","18:00:00",""
"4061802","6.833","0.003","13.633","0.006","7.711","0.003","90","","109.421","0.006","90","","677.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O7 S2 -","- C8 H4 Fe2 O7 S2 -","- C16 H8 Fe4 O14 S4 -","2","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218786","2020-10-21","18:00:00",""
"4061803","32.554","0.012","11.294","0.004","13.655","0.005","90","","114.653","0.011","90","","4563","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Fe2 N2 O6 S2 -","- C16 H24 Fe2 N2 O6 S2 -","- C128 H192 Fe16 N16 O48 S16 -","8","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061804","11.021","0.007","13.173","0.008","16.851","0.01","90","","90","","90","","2446","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Fe3 O8 S3 -","- C20 H14 Fe3 O8 S3 -","- C80 H56 Fe12 O32 S12 -","4","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061805","28.406","0.013","7.598","0.003","15.657","0.007","90","","113.949","0.007","90","","3088","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Fe4 N2 O12 S4 -","- C22 H12 Fe4 N2 O12 S4 -","- C88 H48 Fe16 N8 O48 S16 -","4","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061806","10.422","0.006","13.454","0.006","14.36","0.008","117.43","0.012","106.307","0.01","94.84","0.01","1660.4","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H42 Cl6 Fe5 O12 P2 S4 -","- C51 H42 Cl6 Fe5 O12 P2 S4 -","- C51 H42 Cl6 Fe5 O12 P2 S4 -","1","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218786","2020-10-21","18:00:00",""
"4061807","33.484","0.012","9.174","0.003","21.475","0.008","90","","109.064","0.005","90","","6235","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H46 Cl2 Fe4 O12 P2 Ru S4 -","- C60 H46 Cl2 Fe4 O12 P2 Ru S4 -","- C240 H184 Cl8 Fe16 O48 P8 Ru4 S16 -","4","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061808","15.931","0.009","18.653","0.011","17.065","0.01","90","","101.361","0.01","90","","4972","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Fe4 O14 P2 S4 -","- C44 H40 Fe4 O14 P2 S4 -","- C176 H160 Fe16 O56 P8 S16 -","4","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061809","11.244","0.006","13.596","0.007","15.158","0.007","76.821","0.009","72.85","0.009","81.23","0.008","2146.9","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H37 Cl3 Fe2 N O5 P2 S2 -","- C40 H37 Cl3 Fe2 N O5 P2 S2 -","- C80 H74 Cl6 Fe4 N2 O10 P4 S4 -","2","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061823","19.1819","0.0014","25.361","0.002","15.9512","0.0011","90","","90","","90","","7759.8","1","133","2","133","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C44 H44 Au2 P2 -","- C44 H44 Au2 P2 -","- C352 H352 Au16 P16 -","8","1","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M; Jones, Peter G.","Gold(I) and Silver(I)/Gold(I) Complexes Derived from C~6~Me~4~(C⋮CH)~2~-1,2","Organometallics","2005","24","19","4666","4675","10.1021/om050418b","","","","","","","","","","","","","","","","","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"4063336","32.396","0.013","11.514","0.005","18.087","0.007","90","","104.201","0.007","90","","6540","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H8 Cl N2 O17 Ru6 -","- C23.5 H8 Cl N2 O17 Ru6 -","- C188 H64 Cl8 N16 O136 Ru48 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0491","0.0397","","","0.0802","0.0881","","","","","","1.208","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4075631","11.1653","0.0017","11.3688","0.0017","13.611","0.002","105.623","0.002","99.448","0.002","113.062","0.002","1458.3","0.4","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O Pd -","- C32 H42 N2 O Pd -","- C64 H84 N4 O2 Pd2 -","2","1","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0437","0.0358","","","0.0802","0.0833","","","","","","1.05","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075632","11.9939","0.0016","12.1298","0.0016","13.9255","0.0018","82.955","0.002","69.19","0.002","60.381","0.002","1642.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 N2 O Pd -","- C74 H88 N4 O2 Pd2 -","- C74 H88 N4 O2 Pd2 -","1","0.5","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0577","0.0492","","","0.1041","0.1073","","","","","","1.145","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075633","10.895","0.002","13.62","0.003","13.959","0.003","64.93","0.003","71.179","0.003","73.707","0.003","1750.7","0.6","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H53 N3 O Pd -","- C36.5 H51 N3 O Pd -","- C73 H102 N6 O2 Pd2 -","2","1","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0959","0.066","","","0.1557","0.1714","","","","","","1.044","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075634","8.2205","0.0008","11.1668","0.001","14.1767","0.0013","105.139","0.002","97.409","0.002","110.053","0.002","1145.28","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Fe2 N O4 -","- C26 H21 Fe2 N O4 -","- C52 H42 Fe4 N2 O8 -","2","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.0503","0.0386","","","0.0904","0.0948","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075635","7.6928","0.0008","23.428","0.002","13.1081","0.0013","90","","103.787","0.002","90","","2294.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Fe2 N O5 -","- C26 H19 Fe2 N O5 -","- C104 H76 Fe8 N4 O20 -","4","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.0811","0.0454","","","0.0749","0.0831","","","","","","0.827","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075636","11.861","0.013","13.882","0.015","14.882","0.015","105.426","0.019","113.33","0.02","93.96","0.02","2126","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Fe2 N O4 -","- C25 H19 Fe2 N O4 -","- C100 H76 Fe8 N4 O16 -","4","2","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.221","0.1111","","","0.2482","0.3061","","","","","","0.892","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075637","17.4782","0.001","13.3877","0.0007","25.9087","0.0015","90","","100.353","0.001","90","","5963.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 Fe4 N2 O11 -","- C60 H52 Fe4 N2 O11 -","- C240 H208 Fe16 N8 O44 -","4","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.2163","0.0737","","","0.1765","0.2252","","","","","","0.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075638","10.4699","0.001","23.469","0.002","23.67","0.002","90","","90","","90","","5816.1","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Cl2 Fe2 N O4 -","- C28 H25 Cl2 Fe2 N O4 -","- C224 H200 Cl16 Fe16 N8 O32 -","8","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.1672","0.0741","","","0.1653","0.2006","","","","","","0.944","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075639","7.727","0.003","13.228","0.005","18.666","0.005","90","","96.02","0.05","90","","1897.4","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 F Ni P2 -","- C15 H35 F Ni P2 -","- C60 H140 F4 Ni4 P8 -","4","1","","Cámpora, Juan; Matas, Inmaculada; Palma, Pilar; Graiff, Claudia; Tiripicchio, Antonio","Fluoride Displacement by Lithium Reagents. An Improved Method for the Synthesis of Nickel Hydroxo, Alkoxo, and Amido Complexes","Organometallics","2005","24","12","2827","","10.1021/om0489709","","","1.5418","CuKα","","0.064","0.0581","","","0.1701","0.189","","","","","","1.078","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075640","7.523","0.003","18.015","0.005","7.514","0.003","90.03","0.03","108.2","0.05","101.82","0.04","944.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H36 Ni O P2 -","- C15 H36 Ni O P2 -","- C30 H72 Ni2 O2 P4 -","2","1","","Cámpora, Juan; Matas, Inmaculada; Palma, Pilar; Graiff, Claudia; Tiripicchio, Antonio","Fluoride Displacement by Lithium Reagents. An Improved Method for the Synthesis of Nickel Hydroxo, Alkoxo, and Amido Complexes","Organometallics","2005","24","12","2827","","10.1021/om0489709","","","1.5418","CuKα","","0.0777","0.0595","","","0.1582","0.1725","","","","","","1.037","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075641","10.4761","0.0001","12.1957","0.0001","16.3896","0.0001","109.446","0.0004","92.8248","0.0004","112.449","0.0003","1787.13","0.03","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H38 N3 O2 P Pd -","- C43 H38 N3 O2 P Pd -","- C86 H76 N6 O4 P2 Pd2 -","2","1","","Frey, Guido D.; Schütz, Jan; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Synthesis and Characterization ofN-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis†","Organometallics","2005","24","18","4416","","10.1021/om049001g","","","0.71073","MoKα","","0.0303","0.025","","","0.0563","0.0583","","","","","","1.05","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075642","10.66","0.0001","13.4585","0.0002","38.2426","0.0009","90","","94.103","0.001","90","","5472.51","0.16","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H83 N4 O4 P Pd -","- C59 H83 N4 O4 P Pd -","- C236 H332 N16 O16 P4 Pd4 -","4","1","","Frey, Guido D.; Schütz, Jan; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Synthesis and Characterization ofN-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis†","Organometallics","2005","24","18","4416","","10.1021/om049001g","","","0.71073","MoKα","","0.0554","0.035","","","0.0753","0.0813","","","","","","1.023","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075643","12.6248","0.0001","17.9528","0.0001","27.0927","0.0002","90","","90","","90","","6140.57","0.07","173","1","173","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H38 N3 O2 P Pd -","- C35 H38 N3 O2 P Pd -","- C280 H304 N24 O16 P8 Pd8 -","8","1","","Frey, Guido D.; Schütz, Jan; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Synthesis and Characterization ofN-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis†","Organometallics","2005","24","18","4416","","10.1021/om049001g","","","0.71073","MoKα","","0.0384","0.0291","","","0.0679","0.0717","","","","","","1.035","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075644","9.93","0.002","14.232","0.003","13.832","0.003","90","","96.21","0.03","90","","1943.3","0.7","190","2","190","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","hydridotungstenocene di-tert-butylstannyl chloride","","","- C18 H29 Cl Sn W -","- C18 H29 Cl Sn W -","- C72 H116 Cl4 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.044","0.035","","","0.067","0.07","","","","","","1.062","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075645","9.952","0.002","13.417","0.003","15.161","0.003","90","","104.23","0.03","90","","1962.3","0.8","190","2","190","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","hydridotungstenocene diphenylstannyl chloride","","","- C22 H21 Cl Sn W -","- C22 H21 Cl Sn W -","- C88 H84 Cl4 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.026","0.02","","0.041","0.039","0","","","1.022","1.022","1.022","1.022","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075646","14.081","0.0014","9.5502","0.001","15.2488","0.0015","90","","107.834","0.005","90","","1952.1","0.3","190","2","190","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","chlorotungstenocene di-tert-butylstannyl chloride","","","- C18 H28 Cl2 Sn W -","- C18 H28 Cl2 Sn W -","- C72 H112 Cl8 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.0201","0.0192","","","0.0466","0.047","","","","","","1.174","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075647","15.7779","0.0015","9.1602","0.0009","14.0138","0.0014","90","","90","","90","","2025.4","0.3","190","2","190","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","chlorotungstenocene diphenylstannyl chloride","","","- C22 H20 Cl2 Sn W -","- C22 H20 Cl2 Sn W -","- C88 H80 Cl8 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.0571","0.0389","","","0.0844","0.0923","","","","","","1.006","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075648","8.1625","0.0008","16.6601","0.0017","17.2325","0.0017","90","","99.078","0.005","90","","2314.1","0.4","190","2","190","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","triphenylstannylhydridotungstenocene","","","- C28 H26 Sn W -","- C28 H26 Sn W -","- C112 H104 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.0271","0.022","","","0.0479","0.0499","","","","","","1.082","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075649","13.394","0.003","32.088","0.003","10.1033","0.0019","90","","101.743","0.01","90","","4251.4","1.3","170","2","170","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","Compound 1","","","- C91 H102 N2 Si8 -","- C91 H102 N2 Si8 -","- C182 H204 N4 Si16 -","2","0.5","","Amo, Virginia; Andrés, Román; de Jesús, Ernesto; de la Mata, F. Javier; Flores, Juan C.; Gómez, Rafael; Gómez-Sal, M. Pilar; Turner, John F. C.","Neutral and Cationic Aluminum and Titanium Complexes Incorporating Sterically Demanding Organosilicon Ligands","Organometallics","2005","24","10","2331","","10.1021/om049010p","","x-ray","0.71073","MoKα","","0.1203","0.0664","","","0.1389","0.1624","","","","","","0.997","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075650","10.4258","0.0006","13.9196","0.0008","16.9406","0.001","90","","94.861","0.001","90","","2449.6","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 B N7 O3 P W -","- C18 H31 B N7 O3 P W -","- C72 H124 B4 N28 O12 P4 W4 -","4","1","","Graham, Peter M.; Mocella, Christopher J.; Sabat, Michal; Harman, W. Dean","Dihapto-Coordinated Amide, Ester, and Aldehyde Complexes and Their Role in Decarbonylation","Organometallics","2005","24","5","911","","10.1021/om049016e","","","0.71073","MoKα","","0.0443","0.0295","","","0.0598","0.0628","","","","","","0.886","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075651","11.088","0.001","17.28","0.001","19.366","0.001","90","","90","","90","","3710.5","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H32 Cl4 O4 P2 Pd S -","- C37 H32 Cl4 O4 P2 Pd S -","- C148 H128 Cl16 O16 P8 Pd4 S4 -","4","1","","Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal","Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines","Organometallics","2005","24","6","1204","","10.1021/om0490278","","","0.71069","MoKα","","0.0522","0.0347","","","0.0723","0.0903","","","","","","1.008","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075652","9.849","0.001","11.222","0.001","19.069","0.001","92.47","0.001","101.44","0.001","109.46","0.001","1934.1","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 F3 O7 P2 Pd S2 -","- C40 H35 F3 O7 P2 Pd S2 -","- C80 H70 F6 O14 P4 Pd2 S4 -","2","1","","Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal","Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines","Organometallics","2005","24","6","1204","","10.1021/om0490278","","","0.71069","MoKα","","0.045","0.0342","","","0.0911","0.0959","","","","","","1.03","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075653","15.57","0.001","9.219","0.001","20.365","0.001","90","","90","","90","","2923.2","0.4","150","0.1","150","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C116 H108 F12 O12 P8 Pd4 S8 -","- C116 H108 F12 O12 P8 Pd4 S8 -","- C116 H108 F12 O12 P8 Pd4 S8 -","1","0.25","","Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal","Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines","Organometallics","2005","24","6","1204","","10.1021/om0490278","","","0.71069","MoKα","","0.0428","0.0332","","","0.08","0.085","","","","","","1.012","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075654","11.9217","0.0002","13.2905","0.0002","13.4317","0.0002","89.254","0.001","72.703","0.001","71.976","0.001","1924.91","0.05","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C84 H116 Ca2 N4 -","- C84 H116 Ca2 N4 -","- C84 H116 Ca2 N4 -","1","0.5","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Dimerization of β-Diketiminato Calcium Complexes through Dihapto-Acetylide Ligation","Organometallics","2005","24","6","1184","","10.1021/om0490334","","x-ray","0.71073","MoKα","","0.0506","0.0445","","","0.1128","0.1173","","","","","","1.032","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075655","14.9183","0.0003","13.1452","0.0002","18.3729","0.0004","90","","103.916","0.001","90","","3497.25","0.12","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H96 Ca2 N4 -","- C76 H96 Ca2 N4 -","- C152 H192 Ca4 N8 -","2","0.5","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Dimerization of β-Diketiminato Calcium Complexes through Dihapto-Acetylide Ligation","Organometallics","2005","24","6","1184","","10.1021/om0490334","","x-ray","0.71073","MoKα","","0.0533","0.0414","","","0.1012","0.1088","","","","","","1.06","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075656","15.0572","0.0003","13.0076","0.0003","17.5209","0.0004","90","","100.482","0.001","90","","3374.34","0.13","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Ca2 N4 -","- C74 H92 Ca2 N4 -","- C148 H184 Ca4 N8 -","2","0.5","","Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.","Dimerization of β-Diketiminato Calcium Complexes through Dihapto-Acetylide Ligation","Organometallics","2005","24","6","1184","","10.1021/om0490334","","x-ray","0.71073","MoKα","","0.0476","0.0398","","","0.0982","0.1034","","","","","","1.03","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075657","10.2757","0.0007","20.0438","0.0014","22.3224","0.0015","90","0.002","90","0.002","90","0.002","4597.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[PdCl(C3H5)(3,5-di-t-butylphenyl-MOP)]","","","- C51 H54 Cl P Pd -","- C51 H54 Cl P Pd -","- C204 H216 Cl4 P4 Pd4 -","4","1","","Kumar, P. G. Anil; Dotta, Pascal; Hermatschweiler, René; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","Bonding in Palladium(II) and Platinum(II) Allyl MeO- and H-MOP Complexes. Subtle Differences via13C NMR","Organometallics","2005","24","6","1306","","10.1021/om049039t","","","0.71069","MoKα","","0.067","0.0405","","","0.09","0.1012","","","","","","1.029","","","","has coordinates","178645","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",""
"4075659","13.683","0.009","9.43","0.003","23.089","0.005","90","","92.1","0.03","90","","2977","2","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 B O3 P2 Pt -","- C29 H35 B O3 P2 Pt -","- C116 H140 B4 O12 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","","0.0543","0.054","","0.046","","0.046","","","2.591","","","2.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075660","11.0322","0.0012","11.7494","0.0013","16.8982","0.0018","102.092","0.002","91.235","0.002","117.825","0.002","1876","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H60 Cl N Os P2 Sn -","- C37 H60 Cl N Os P2 Sn -","- C74 H120 Cl2 N2 Os2 P4 Sn2 -","2","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique","C(sp2)−H Activation of RCHE−py (E = CH, N) and RCHCHC(O)R‘ Substrates Promoted by a Highly Unsaturated Osmium−Monohydride Complex","Organometallics","2005","24","7","1428","","10.1021/om049064z","","","0.71073","MoKα","","0.0362","0.0278","","","0.0403","0.0417","","","","","","0.782","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075661","10.5516","0.0008","19.3519","0.0014","17.6856","0.0013","90","","94.708","0.001","90","","3599.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 Cl O Os P2 Sn -","- C34 H59 Cl O Os P2 Sn -","- C136 H236 Cl4 O4 Os4 P8 Sn4 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique","C(sp2)−H Activation of RCHE−py (E = CH, N) and RCHCHC(O)R‘ Substrates Promoted by a Highly Unsaturated Osmium−Monohydride Complex","Organometallics","2005","24","7","1428","","10.1021/om049064z","","","0.71073","MoKα","","0.0225","0.0185","","","0.0373","0.038","","","","","","0.944","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075662","12.335","0.001","13.648","0.001","17.643","0.001","90","","90","","90","","2970.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl2 N P2 Pd -","- C33 H31 Cl2 N P2 Pd -","- C132 H124 Cl8 N4 P8 Pd4 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0446","0.0337","","","0.0772","0.0819","","","","","","1.008","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075663","9.545","0.001","10.556","0.001","18.181","0.001","93.142","0.001","102.686","0.001","106.809","0.001","1697","0.3","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H39 Br Cl N O2 P2 Pd -","- C37 H39 Br Cl N O2 P2 Pd -","- C74 H78 Br2 Cl2 N2 O4 P4 Pd2 -","2","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0378","0.0312","","","0.0834","0.0863","","","","","","1.021","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075664","11.36","0.001","14.822","0.001","17.095","0.001","90","","105.17","0.001","90","","2778.1","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl2 N P2 Pd -","- C31 H27 Cl2 N P2 Pd -","- C124 H108 Cl8 N4 P8 Pd4 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0489","0.0341","","","0.0883","0.0939","","","","","","1.019","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075665","12.322","0.001","13.667","0.001","17.679","0.001","90","","90","","90","","2977.2","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Br0.16 Cl1.84 N P2 Pd -","- C33 H31 Br0.163 Cl1.837 N P2 Pd -","- C132 H124 Br0.652 Cl7.348 N4 P8 Pd4 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0604","0.0398","","","0.0854","0.093","","","","","","1.005","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075666","8.501","0.001","16.337","0.001","13.545","0.001","90","","94.05","0.001","90","","1876.4","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H41 Br Cl3 N O P2 Pt -","- C38 H41 Br Cl3 N O P2 Pt -","- C76 H82 Br2 Cl6 N2 O2 P4 Pt2 -","2","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0456","0.039","","","0.0963","0.1001","","","","","","1.005","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075667","12.41","0.001","12.644","0.001","21.681","0.001","75.6","0.001","75.85","0.001","81.04","0.001","3178.8","0.4","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64.5 H59 Br Cl6 N2 P4 Pt -","- C64 H58 Br Cl5 N2 P4 Pt -","- C128 H116 Br2 Cl10 N4 P8 Pt2 -","2","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0486","0.0379","","","0.0973","0.1012","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075668","19.997","0.001","9.79","0.001","17.67","0.001","90","","95.4","0.001","90","","3443.9","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Br2 N Ni O2 P2 -","- C37 H39 Br2 N Ni O2 P2 -","- C148 H156 Br8 N4 Ni4 O8 P8 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0542","0.035","","","0.0843","0.0903","","","","","","1.039","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075669","9.4166","0.0008","10.8851","0.001","11.6734","0.001","87.828","0.002","76.033","0.002","65.899","0.002","1057.45","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H4 F24 Hg6 O2 -","- C42 H4 F24 Hg6 O2 -","- C42 H4 F24 Hg6 O2 -","1","0.5","","Tikhonova, Irina A.; Dolgushin, Fedor M.; Yakovenko, Andrey A.; Tugashov, Kirill I.; Petrovskii, Pavel V.; Furin, Georgy G.; Shur, Vladimir B.","Binding of Dienophiles by Macrocyclic Multidentate Lewis Acids. Synthesis and X-ray Crystal Structure Determination of Unusual Complexes of Cyclic Trimeric Perfluoro-o-phenylenemercury withp-Benzoquinone and Maleic Anhydride","Organometallics","2005","24","14","3395","","10.1021/om0490738","","","0.71073","MoKα","","0.1016","0.0574","","","0.1258","0.1378","","","","","","0.972","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075670","9.4235","0.0005","10.1101","0.0005","13.3638","0.0007","104.821","0.001","108.918","0.001","92.554","0.001","1152.99","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H4 F24 Hg6 O6 -","- C44 H4 F24 Hg6 O6 -","- C44 H4 F24 Hg6 O6 -","1","0.5","","Tikhonova, Irina A.; Dolgushin, Fedor M.; Yakovenko, Andrey A.; Tugashov, Kirill I.; Petrovskii, Pavel V.; Furin, Georgy G.; Shur, Vladimir B.","Binding of Dienophiles by Macrocyclic Multidentate Lewis Acids. Synthesis and X-ray Crystal Structure Determination of Unusual Complexes of Cyclic Trimeric Perfluoro-o-phenylenemercury withp-Benzoquinone and Maleic Anhydride","Organometallics","2005","24","14","3395","","10.1021/om0490738","","","0.71073","MoKα","","0.0499","0.0406","","","0.0972","0.1007","","","","","","1.054","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075671","27.939","0.015","9.226","0.005","37.232","0.002","90","0","108.006","0.017","90","0","9127","7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Methyl cobalt(III) Mesitylglyoxime Pyridine","trans-bis(dimesitylglyoximato)-methyl-(pyridine)-cobalt(III)","","- C94 H112 Cl4 Co2 N10 O8 -","- C94 H112 Cl4 Co2 N10 O8 -","- C376 H448 Cl16 Co8 N40 O32 -","4","0.5","","Mandal, Debaprasad; Gupta, B. D.","Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes","Organometallics","2005","24","7","1501","1510","10.1021/om049096m","","","0.71073","MoKα","","0.1014","0.0689","","","0.1621","0.1806","","","","","","1.017","","","","has coordinates","219026","2020-10-21","18:00:00",""
"4075672","27.776","0.008","9.071","0.002","36.827","0.01","90","0","108.043","0.006","90","0","8822","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Chloro cobalt(III) Mesitylglyoxime Pyridine","trans-bis(dimesitylglyoximato)-chloro-(pyridine)-cobalt(III)","","- C94 H108 Cl2 Co2 N12 O8 -","- C94 H108 Cl2 Co2 N12 O8 -","- C376 H432 Cl8 Co8 N48 O32 -","4","0.5","","Mandal, Debaprasad; Gupta, B. D.","Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes","Organometallics","2005","24","7","1501","1510","10.1021/om049096m","","","0.71073","MoKα","","0.1634","0.0837","","","0.1683","0.2004","","","","","","1.003","","","","has coordinates","219026","2020-10-21","18:00:00",""
"4075673","27.579","0.017","9.116","0.005","36.61","0.002","90","0","108.493","0.002","90","0","8729","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Bromo cobalt(III) Mesitylglyoxime Pyridine","trans-bis(dimesitylglyoximato)-bromo-(pyridine)-cobalt(III)","","- C92 H106 Br2 Cl4 Co2 N10 O8 -","- C92 H106 Br2 Cl4 Co2 N10 O8 -","- C368 H424 Br8 Cl16 Co8 N40 O32 -","4","0.5","","Mandal, Debaprasad; Gupta, B. D.","Cobaloximes with Dimesitylglyoxime: Synthesis, Characterization, and Spectral Correlations with the Related Cobaloximes","Organometallics","2005","24","7","1501","1510","10.1021/om049096m","","","0.71073","MoKα","","0.0935","0.0727","","","0.2119","0.2268","","","","","","1.053","","","","has coordinates","219026","2020-10-21","18:00:00",""
"4075674","12.515","0.002","25.187","0.003","14.685","0.002","90","","90","","90","","4628.9","1.1","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C46 H58 P2 Pt -","- C46 H10 P2 Pt -","- C184 H40 P8 Pt4 -","4","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.1806","0.0728","","","0.1748","0.2185","","","","","","1.002","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075675","43.088","0.006","9.179","0.003","33.478","0.004","90","","94.949","0.011","90","","13191","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H88 I2 P4 Pt2 -","- C58 I2 P4 Pt2 -","- C464 I16 P32 Pt16 -","8","1","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.7107","MoKα","","0.1571","0.0686","","","0.1896","0.2199","","","","","","0.96","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075676","13.6001","0.0016","13.7981","0.0016","14.8932","0.0018","76.349","0.002","62.971","0.002","81.647","0.002","2416.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H116 P4 Pt2 -","- C102 H116 P4 Pt2 -","- C102 H116 P4 Pt2 -","1","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0911","0.0523","","","0.1068","0.1211","","","","","","0.993","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075677","16.672","0.003","14.112","0.003","25.808","0.005","90","","101.914","0.004","90","","5941","2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H52 P2 Pt -","- C71 H52 P2 Pt -","- C284 H208 P8 Pt4 -","4","1","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.2169","0.0828","","","0.1651","0.2211","","","","","","0.95","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075678","26.1543","0.0014","15.383","0.0008","31.5394","0.0017","90","","90","","90","","12689.3","1.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H73 O2 P2 Pt -","- C78 H73 O2 P2 Pt -","- C624 H584 O16 P16 Pt8 -","8","1","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0978","0.0509","","","0.1009","0.1116","","","","","","1.017","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075679","15.1666","0.0005","10.3529","0.0003","28.4724","0.0009","90","","104.947","0.001","90","","4319.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H126 O2 P4 Pt2 -","- C94 H126 O2 P4 Pt2 -","- C188 H252 O4 P8 Pt4 -","2","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0458","0.0313","","","0.0656","0.0715","","","","","","1.028","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075680","10.0479","0.0005","16.5098","0.0007","17.2911","0.0008","75.252","0.001","74.988","0.001","77.954","0.001","2647.8","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H98 Cl4 O2 P4 Pt2 -","- C126 H98 Cl4 O2 P4 Pt2 -","- C126 H98 Cl4 O2 P4 Pt2 -","1","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0677","0.0504","","","0.1238","0.1398","","","","","","1.04","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075681","8.853","0.001","17.016","0.001","14.01","0.002","90","","100.385","0.01","90","","2075.9","0.4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Salme*)(Salme*-H)SiPh","(N,O)-N-Methyl-o-oxyacetophenoneiminato-(N',O')-N'-methyl-N'-1-(2-oxyphenyl)- vinylaminatophenylsilicon","","- C24 H24 N2 O2 Si -","- C24 H24 N2 O2 Si -","- C96 H96 N8 O8 Si4 -","4","1","","Wagler, Jörg; Böhme, Uwe; Brendler, Erica; Roewer, Gerhard","Equilibrium between Tetra-, Penta-, and Hexacoordinate Imine and Enamine Chelates of Silicon: Crystal Structure and Variable-Temperature NMR","Organometallics","2005","24","6","1348","","10.1021/om049115s","","","0.71073","MoKα","","0.0663","0.04","","","0.0942","0.1033","","","","","","1.016","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075682","11.889","0.002","21.871","0.004","12.464","0.003","90","","101.94","0.03","90","","3170.8","1.2","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Salme*)3SiPh*1/2p-Xylene","Tris-(2-oxyacetophenone-N-methyliminato)phenylsilane p-Xylene solvate","","- C37 H40 N3 O3 Si -","- C37 H40 N3 O3 Si -","- C148 H160 N12 O12 Si4 -","4","1","","Wagler, Jörg; Böhme, Uwe; Brendler, Erica; Roewer, Gerhard","Equilibrium between Tetra-, Penta-, and Hexacoordinate Imine and Enamine Chelates of Silicon: Crystal Structure and Variable-Temperature NMR","Organometallics","2005","24","6","1348","","10.1021/om049115s","","","0.71073","MoKα","","0.0729","0.0475","","","0.1014","0.111","","","","","","1.077","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075683","9.5729","0.0003","13.1585","0.0005","17.0702","0.0006","90","","90","","90","","2150.25","0.13","293","2","293","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O8 Ru3 -","- C16 H14 N2 O8 Ru3 -","- C64 H56 N8 O32 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Martínez-Méndez, Lorena; Pérez-Carreño, Enrique","η2-Edge-Bridging and η3-Face-Capping Coordination of Conjugated Ynenyl Ligands in Triruthenium Carbonyl Cluster Complexes Derived from 1,1-Dimethylhydrazine","Organometallics","2005","24","5","831","","10.1021/om049119x","","","1.5418","CuKα","","0.0528","0.0453","","","0.1048","0.1081","","","","","","0.935","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075684","9.5945","0.0003","12.305","0.0003","13.4399","0.0004","78.326","0.002","89.038","0.002","78.554","0.002","1522.54","0.08","120","2","120","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","5","P -1","-P 1","2","","","","- C29 H25 N2 O8 Ru3 -","- C29 H25 N2 O8 Ru3 -","- C58 H50 N4 O16 Ru6 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Martínez-Méndez, Lorena; Pérez-Carreño, Enrique","η2-Edge-Bridging and η3-Face-Capping Coordination of Conjugated Ynenyl Ligands in Triruthenium Carbonyl Cluster Complexes Derived from 1,1-Dimethylhydrazine","Organometallics","2005","24","5","831","","10.1021/om049119x","","","1.5418","CuKα","","0.0542","0.0513","","","0.1349","0.1378","","","","","","1.021","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075685","7.626","0.0016","28.235","0.004","10.4316","0.0017","90","","90","","90","","2246.1","0.7","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H24 Br O P Pd -","- C26 H24 Br O P Pd -","- C104 H96 Br4 O4 P4 Pd4 -","4","1","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0701","0.0613","","","0.1661","0.1732","","","","","","1.069","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075686","12.873","0.001","10.995","0.001","19.49","0.003","90","","106.92","0.01","90","","2639.2","0.5","160","2","160","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H52 Cl6 O2 P2 Pd2 -","- C54 H52 Cl6 O2 P2 Pd2 -","- C108 H104 Cl12 O4 P4 Pd4 -","2","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0343","0.0292","","","0.0721","0.0754","","","","","","1.035","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075687","12.047","0.001","15.569","0.002","13.581","0.002","90","","112.96","0.01","90","","2345.4","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H48 Cl2 O2 P2 Pd2 -","- C53 H48 Cl2 O2 P2 Pd2 -","- C106 H96 Cl4 O4 P4 Pd4 -","2","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0801","0.051","","","0.1213","0.1396","","","","","","0.98","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075688","8.782","0.005","12.163","0.005","12.816","0.005","99.9","0.005","95.56","0.005","103.68","0.005","1296.7","1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Cl2 O2 P2 Pd2 -","- C59 H60 Cl1.98 O2 P2 Pd2 -","- C59 H60 Cl1.98 O2 P2 Pd2 -","1","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71069","MoKα","","0.1179","0.1055","","","0.257","0.2678","","","","","","2.078","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075689","11.878","0.005","14.902","0.004","22.507","0.007","90","","95.42","0.04","90","","3966","2","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Cl2 I O P2 Pd -","- C44 H39 Cl2 I O P2 Pd -","- C176 H156 Cl8 I4 O4 P8 Pd4 -","4","1","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.1329","0.0748","","","0.1731","0.2064","","","","","","1.008","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075690","10.36","0.001","18.713","0.005","23.102","0.003","90","","90","","90","","4478.7","1.4","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C46 H43 Cl4 I O P2 Pd -","- C46 H43 Cl4 I O P2 Pd -","- C184 H172 Cl16 I4 O4 P8 Pd4 -","4","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0975","0.0626","","","0.1417","0.1621","","","","","","1.013","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075691","10.848","0.002","14.295","0.003","24.476","0.005","75.34","0.02","88.9","0.02","89.17","0.02","3671.1","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H39 I O P2 Pd -","- C44 H39.25 I O P2 Pd -","- C176 H157 I4 O4 P8 Pd4 -","4","2","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.126","0.1129","","","0.2677","0.2702","","","","","","2.438","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075692","10.3038","0.0011","11.9421","0.0014","14.743","0.002","67.594","0.009","71.833","0.011","89.336","0.011","1581.6","0.4","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H62 Cl8 O8 P2 Pd2 -","- C60 H60 Cl8 O8 P2 Pd2 -","- C60 H60 Cl8 O8 P2 Pd2 -","1","0.5","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0544","0.0435","","","0.1061","0.1119","","","","","","1.059","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075693","16.7591","0.0014","11.2544","0.0009","17.1493","0.0015","90","","102.501","0.002","90","","3157.9","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H42 Cl3 O P2 Rh -","- C32 H42 Cl3 O P2 Rh -","- C128 H168 Cl12 O4 P8 Rh4 -","4","1","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.0329","0.0286","","","0.0615","0.063","","","","","","1.013","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075694","16.725","0.002","11.2189","0.0019","17.095","0.003","90","","102.016","0.015","90","","3137.4","0.9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H42 Cl4 P2 Pd -","- C31 H42 Cl4 P2 Pd -","- C124 H168 Cl16 P8 Pd4 -","4","1","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.041","0.0329","","","0.0644","0.0664","","","","","","0.98","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075695","10.999","0.005","20.439","0.006","27.982","0.008","88.06","0.03","80.25","0.03","74.94","0.03","5986","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H45 Cl2 Ni O0.5 P2 -","- C32 H45 Cl2 Ni O0.5 P2 -","- C256 H360 Cl16 Ni8 O4 P16 -","8","4","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.1501","0.0683","","","0.1264","0.1542","","","","","","1.009","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075696","11.1266","0.0015","19.528","0.002","12.6119","0.0019","90","","93.267","0.009","90","","2735.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl2 P2 Pt -","- C30 H40 Cl2 P2 Pt -","- C120 H160 Cl8 P8 Pt4 -","4","1","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.038","0.0239","","","0.0477","0.05","","","","","","0.931","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075697","10.284","0.004","23.343","0.005","16.066","0.003","90","","97.56","0.03","90","","3823.3","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cl Ir N4 P2 -","- C44 H38 Cl Ir N4 P2 -","- C176 H152 Cl4 Ir4 N16 P8 -","4","1","","Tejel, Cristina; Ciriano, Miguel A.; Jiménez, Sonia; Oro, Luis A.; Graiff, Claudia; Tiripicchio, Antonio","Reactions of Phosphine Ligands with Iridium Complexes Leading to C(sp3)−H Bond Activation","Organometallics","2005","24","6","1105","","10.1021/om049142i","","","0.71073","MoKα","","0.1371","0.037","","","0.0822","0.1413","","","","","","0.597","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075698","12.0195","0.0011","24.292","0.002","14.2557","0.0011","90","","102.308","0.004","90","","4066.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H55 Li2 N2 O2 P -","- C46 H55 Li2 N2 O2 P -","- C184 H220 Li8 N8 O8 P4 -","4","1","","MacLachlan, Erin A.; Fryzuk, Michael D.","A New Arene-Bridged Diamidophosphine Ligand and Its Coordination Chemistry with Zirconium(IV)","Organometallics","2005","24","6","1112","","10.1021/om049165x","","","0.71073","MoKα","","0.0877","0.051","","","0.125","0.1411","","","","","","1.044","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075699","44.638","0.002","10.8958","0.0005","19.4505","0.0009","90","","94.334","0.002","90","","9433","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 Cl2 N2 P Zr -","- C53 H53 Cl2 N2 P Zr -","- C424 H424 Cl16 N16 P8 Zr8 -","8","1","","MacLachlan, Erin A.; Fryzuk, Michael D.","A New Arene-Bridged Diamidophosphine Ligand and Its Coordination Chemistry with Zirconium(IV)","Organometallics","2005","24","6","1112","","10.1021/om049165x","","","0.71073","MoKα","","0.0701","0.0505","","","0.1252","0.1379","","","","","","1.163","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075700","10.146","0.003","15.736","0.005","34.459","0.012","90","","90","","90","","5502","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 Ir O5 S2 -","- C17 H25 B10 Co2 Ir O5 S2 -","- C136 H200 B80 Co16 Ir8 O40 S16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0491","0.0381","","","0.0935","0.0986","","","","","","1.208","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075701","10.154","0.003","16.051","0.004","34.606","0.01","90","","90","","90","","5640","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 Ir O5 Se2 -","- C17 H25 B10 Co2 Ir O5 Se2 -","- C136 H200 B80 Co16 Ir8 O40 Se16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0719","0.049","","","0.0964","0.113","","","","","","1.168","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075702","18.076","0.007","14.012","0.005","19.787","0.007","90","","90","","90","","5012","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Fe Ir O3 Se2 -","- C15 H25 B10 Fe Ir O3 Se2 -","- C120 H200 B80 Fe8 Ir8 O24 Se16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0577","0.0314","","","0.0648","0.0769","","","","","","1.062","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075703","17.911","0.004","18.56","0.004","11.32","0.002","90","","105.69","0.03","90","","3622.9","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H108 Ge2 K2 O12 Si6 -","- C52 H108 Ge2 K2 O12 Si6 -","- C104 H216 Ge4 K4 O24 Si12 -","2","0.5","","Fischer, Jelena; Baumgartner, Judith; Marschner, Christoph","Silylgermylpotassium Compounds","Organometallics","2005","24","6","1263","","10.1021/om0491894","","","0.71073","MoKα","","0.1128","0.0846","","","0.1947","0.212","","","","","","1.073","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075704","11.906","0.002","19.793","0.004","20.304","0.004","114.5","0.03","91.99","0.03","102.03","0.03","4218.7","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H88 Ge2 K2 O12 Si4 -","- C40 H88 Ge2 K2 O12 Si4 -","- C120 H264 Ge6 K6 O36 Si12 -","3","1.5","","Fischer, Jelena; Baumgartner, Judith; Marschner, Christoph","Silylgermylpotassium Compounds","Organometallics","2005","24","6","1263","","10.1021/om0491894","","","0.71073","MoKα","","0.0707","0.0522","","","0.1399","0.1506","","","","","","1.031","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075705","15.901","0.003","9.5497","0.0019","22.498","0.005","90","","92.68","0.03","90","","3412.6","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H54 Ge2 Si6 Sn -","- C18 H54 Ge2 Si6 Sn -","- C72 H216 Ge8 Si24 Sn4 -","4","0.5","","Fischer, Jelena; Baumgartner, Judith; Marschner, Christoph","Silylgermylpotassium Compounds","Organometallics","2005","24","6","1263","","10.1021/om0491894","","","0.71073","MoKα","","0.0985","0.0918","","","0.2229","0.2252","","","","","","1.219","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075706","35.081","0.012","8.798","0.003","16.104","0.006","90","","103.27","0.02","90","","4838","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H33 Mo2 O2 P -","- C24 H33 Mo2 O2 P -","- C192 H264 Mo16 O16 P8 -","8","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity","Organometallics","2005","24","1","7","","10.1021/om0491948","","","0.71073","MoKα","","0.1709","0.0585","","","0.1121","0.1453","","","","","","0.874","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075707","10.1","0.006","11.745","0.007","13.815","0.009","105.9","0.02","98.26","0.02","107.56","0.02","1456.2","1.6","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Mo2 N O2 P -","- C29 H42 Mo2 N O2 P -","- C58 H84 Mo4 N2 O4 P2 -","2","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity","Organometallics","2005","24","1","7","","10.1021/om0491948","","","0.71073","MoKα","","","0.0578","","","","0.1823","","","","","","1.072","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075708","8.974","0.002","12.207","0.003","17.457","0.004","94.374","0.004","97.325","0.004","95.911","0.004","1878.9","0.8","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42 H47 Mo2 O2 P Sn -","- C42 H47 Mo2 O2 P Sn -","- C84 H94 Mo4 O4 P2 Sn2 -","2","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity","Organometallics","2005","24","1","7","","10.1021/om0491948","","x-ray","0.71073","MoKα","","0.079","0.0387","","","0.0736","0.0901","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075709","9.704","0.003","22.494","0.006","14.465","0.004","90","","109.17","0.03","90","","2982.4","1.6","120","0.1","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Mo3 O5 P -","- C32 H37 Mo3 O5 P -","- C128 H148 Mo12 O20 P4 -","4","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity","Organometallics","2005","24","1","7","","10.1021/om0491948","","x-ray","0.71073","MoKα","","0.0818","0.0514","","","0.1096","0.1214","","","","","","1.12","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075710","31.064","0.002","11.9434","0.0009","17.9159","0.0013","90","","99.475","0.001","90","","6556.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 Mg N6 Si2 -","- C26 H52 Mg N6 Si2 -","- C208 H416 Mg8 N48 Si16 -","8","1","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0703","0.0467","","","0.115","0.1268","","","","","","1.009","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075711","24.2471","0.0016","8.6536","0.0006","20.1913","0.0014","90","","122.682","0.001","90","","3565.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H52 Mg N6 Si2 -","- C34 H52 Mg N6 Si2 -","- C136 H208 Mg4 N24 Si8 -","4","0.5","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0581","0.0446","","","0.1151","0.1232","","","","","","1.028","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075712","13.4473","0.0008","16.0187","0.0009","16.3754","0.0009","90","","101.875","0.001","90","","3451.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Mg N2 O2 Si2 -","- C32 H56 Mg N2 O2 Si2 -","- C128 H224 Mg4 N8 O8 Si8 -","4","1","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0576","0.047","","","0.1165","0.121","","","","","","1.158","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075713","12.0451","0.0007","15.9172","0.0009","18.6838","0.001","91.729","0.001","101.358","0.001","90.445","0.001","3510","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 Mg N4 Si2 -","- C34 H50 Mg N4 Si2 -","- C136 H200 Mg4 N16 Si8 -","4","2","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0547","0.0439","","","0.1101","0.1168","","","","","","1.027","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075714","9.7033","0.0009","10.2273","0.001","11.7211","0.0011","87.909","0.002","77.606","0.002","75.957","0.002","1101.97","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H80 Mg2 N4 Si4 -","- C36 H80 Mg2 N4 Si4 -","- C36 H80 Mg2 N4 Si4 -","1","0.5","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0633","0.0584","","","0.1572","0.1625","","","","","","1.039","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075715","10.4814","0.0019","18.532","0.003","18.641","0.003","90","","94.469","0.003","90","","3609.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 Mg N6 Si2 -","- C32 H60 Mg N6 Si2 -","- C128 H240 Mg4 N24 Si8 -","4","0.5","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0558","0.0429","","","0.1101","0.1181","","","","","","1.06","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075716","12.8708","0.0007","17.1592","0.001","18.2267","0.001","90","","100.069","0.001","90","","3963.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 Mg N2 Si4 -","- C38 H56 Mg N2 Si4 -","- C152 H224 Mg4 N8 Si16 -","4","1","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.055","0.0421","","","0.1063","0.1137","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075717","12.5908","0.0006","22.8478","0.0011","11.3638","0.0005","90","","106.578","0.001","90","","3133.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H53 Mg N3 Si4 -","- C23 H53 Mg N3 Si4 -","- C92 H212 Mg4 N12 Si16 -","4","0.5","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.032","0.0293","","","0.0792","0.081","","","","","","1.074","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075718","11.4854","0.0009","16.9421","0.0013","16.8527","0.0013","90","","102.533","0.002","90","","3201.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H58 Mg N2 O Si2 -","- C30 H58 Mg N2 O Si2 -","- C120 H232 Mg4 N8 O4 Si8 -","4","1","","Tang, Yongjun; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands","Organometallics","2005","24","5","836","","10.1021/om049203c","","","0.71073","MoKα","","0.0547","0.0419","","","0.1005","0.1068","","","","","","1.03","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075719","24.9627","0.0004","12.0804","0.0002","28.9802","0.0005","90","","106.786","0.0007","90","","8366.9","0.2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cl2 N Ni O2 P2 Zn -","- C46 H44 Cl2 N Ni O2 P2 Zn -","- C368 H352 Cl16 N8 Ni8 O16 P16 Zn8 -","8","1","","Wilting, Jos; Müller, Christian; Hewat, Alison C.; Ellis, Dianne D.; Tooke, Duncan M.; Spek, Anthony L.; Vogt, Dieter","Nickel-Catalyzed Isomerization of 2-Methyl-3-butenenitrile†","Organometallics","2005","24","1","13","","10.1021/om049206p","","","0.71073","MoKα","","0.0586","0.0378","","","0.0808","0.0877","","","","","","1.028","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075720","19.448","0.003","12.5409","0.0015","9.3747","0.0012","90","","102.798","0.008","90","","2229.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Fe N2 O4 -","- C22 H32 Fe N2 O4 -","- C88 H128 Fe4 N8 O16 -","4","0.5","","Joly, Kévin M.; Kariuki, Benson M.; Coe, Diane M.; Cox, Liam R.","One-Pot Synthesis of 1,1‘-Bis(2-amino)ethyl-Substituted Ferrocenes from the Reaction of Spiro[2.4]hepta-4,6-diene with Lithium Amides: An Expedient Route into Functionalized Ferrocenophanes","Organometallics","2005","24","3","358","","10.1021/om049222m","","","0.71069","MoKα","","0.0664","0.0524","","","0.1404","0.171","","","","","","1.076","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075721","6.055","0.0006","6.854","0.0006","10.086","0.0008","105.771","0.007","101.616","0.007","104.784","0.009","372.64","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H14 Fe Se2 -","- C16 H14 Fe Se2 -","- C16 H14 Fe Se2 -","1","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.0649","0.0527","","","0.1291","0.1385","","","","","","1.11","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075722","11.289","0.0007","10.97","0.0012","24.15","0.0017","90","0.007","96.531","0.006","90","0.008","2971.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Fe4 O8 Se4 -","- C24 H14 Fe4 O8 Se4 -","- C96 H56 Fe16 O32 Se16 -","4","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.235","0.0655","","","0.1441","0.2001","","","","","","0.962","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075723","11.286","0.0011","10.807","0.0015","23.935","0.001","90","0.009","96.608","0.006","90","0.01","2899.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Fe4 O8 S2 Se2 -","- C24 H14 Fe4 O8 S2 Se2 -","- C96 H56 Fe16 O32 S8 Se8 -","4","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.1484","0.0626","","","0.1411","0.1715","","","","","","1.037","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075724","11.4021","0.0017","10.8602","0.0017","24.127","0.004","90","","97.031","0.003","90","","2965.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Fe3 O8 Ru S2 Se2 -","- C24 H14 Fe3 O8 Ru S2 Se2 -","- C96 H56 Fe12 O32 Ru4 S8 Se8 -","4","1","","Mathur, Pradeep; Singh, Vinay K.; Mobin, Shaikh M.; Srinivasu, Chimalakonda; Trivedi, Rajiv; Bhunia, Anjan K.; Puranik, Vedavati G.","Synthesis and Characterization of Ferrocenylchalcogenopropargyl Complexes [Fe(η5-C5H4EICH2C⋮CH)2] (EI= Se, S) and Their Reactions To Form Unusual Ferrocenyl-Containing Metal Clusters with Eclipsed Cp Rings and New Five-Membered FeEICHCCH2Ring Ligand System†","Organometallics","2005","24","3","367","","10.1021/om049226r","","","0.71073","MoKα","","0.1506","0.0836","","","0.2079","0.2452","","","","","","1.129","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075725","9.916","0.001","15.327","0.001","16.582","0.002","90","","90","","90","","2520.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Hf N4 P2 -","- C18 H42 Hf N4 P2 -","- C72 H168 Hf4 N16 P8 -","4","1","","Axenov, Kirill V.; Klinga, Martti; Leskelä, Markku; Repo, Timo","Bis(amido)cyclodiphosph(III)azane Hafnium Complexes and Their Activation by Tris(perfluorophenyl)borane","Organometallics","2005","24","6","1336","","10.1021/om0492303","","","0.71073","MoKα","","0.0447","0.0304","","","0.048","0.0511","","","","","","1.022","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075726","12.168","0.001","19.986","0.001","17.984","0.001","90","","103.561","0.002","90","","4251.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 B F15 Hf N4 P2 -","- C36 H42 B F15 Hf N4 P2 -","- C144 H168 B4 F60 Hf4 N16 P8 -","4","1","","Axenov, Kirill V.; Klinga, Martti; Leskelä, Markku; Repo, Timo","Bis(amido)cyclodiphosph(III)azane Hafnium Complexes and Their Activation by Tris(perfluorophenyl)borane","Organometallics","2005","24","6","1336","","10.1021/om0492303","","","0.71073","MoKα","","0.0969","0.0497","","","0.1047","0.1211","","","","","","1.009","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075727","17.6298","0.0004","18.2844","0.0003","19.013","0.0005","79.948","0.001","89.293","0.001","63.643","0.001","5392.7","0.2","200","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C212 H246 Cu20 Fe4 O8 P10 Se14 -","- C212 H246 Cu20 Fe4 O8 P10 Se14 -","- C212 H246 Cu20 Fe4 O8 P10 Se14 -","1","0.5","","Wallbank, Andrew I.; Borecki, Aneta; Taylor, Nicholas J.; Corrigan, John F.","Ferrocenyl-Passivated Nanoclusters: Synthesis of [Cu20Se6(Se2fc)4(PR2R‘)10] and [Cu40Se12(Se2fc)8(PPh3)9]","Organometallics","2005","24","5","788","","10.1021/om049238c","","","0.71073","MoKα","","0.1461","0.0597","","","0.1068","0.1241","","","","","","0.922","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075728","19.5503","0.0012","18.969","0.0011","26.5963","0.0016","90","","99.437","0.0001","90","","9729.7","1","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C160 H302 Cu20 Fe4 P10 Se14 -","- C160 H302 Cu20 Fe4 P10 Se14 -","- C320 H604 Cu40 Fe8 P20 Se28 -","2","0.5","","Wallbank, Andrew I.; Borecki, Aneta; Taylor, Nicholas J.; Corrigan, John F.","Ferrocenyl-Passivated Nanoclusters: Synthesis of [Cu20Se6(Se2fc)4(PR2R‘)10] and [Cu40Se12(Se2fc)8(PPh3)9]","Organometallics","2005","24","5","788","","10.1021/om049238c","","","0.71073","MoKα","","0.0503","0.0311","","","0.0518","0.0529","","","","","","1.083","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075729","21.1482","0.0003","29.3806","0.0005","49.789","0.008","90","","95.435","0.001","90","","30797","5","200","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C250 H215 Cu40 Fe8 O2 P9 Se28 -","- C250 H215 Cu40 Fe8 O2 P9 Se28 -","- C1000 H860 Cu160 Fe32 O8 P36 Se112 -","4","1","","Wallbank, Andrew I.; Borecki, Aneta; Taylor, Nicholas J.; Corrigan, John F.","Ferrocenyl-Passivated Nanoclusters: Synthesis of [Cu20Se6(Se2fc)4(PR2R‘)10] and [Cu40Se12(Se2fc)8(PPh3)9]","Organometallics","2005","24","5","788","","10.1021/om049238c","","","0.71073","MoKα","","0.11","0.0563","","","0.1866","0.2061","","","","","","1.065","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075730","10.26","0.0002","12.804","0.0002","19.634","0.0003","71.302","0.001","87.086","0.001","70.073","0.001","2291.94","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H68 Cl N O P2 Pd -","- C50 H68 Cl N O P2 Pd -","- C100 H136 Cl2 N2 O2 P4 Pd2 -","2","1","","Liang, Lan-Chang; Chien, Pin-Shu; Huang, Mei-Hui","Catalytic Suzuki Coupling Reactions by Amido Phosphine Complexes of Palladium","Organometallics","2005","24","3","353","","10.1021/om0492395","","","0.71073","MoKα","","0.0506","0.0386","","","0.1009","0.1267","","","","","","1.259","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075731","13.277","0.002","20.202","0.004","15.13","0.004","90","","113.195","0.017","90","","3730.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 F3 O4 Rh S -","- C39 H42 F3 O4 Rh S -","- C156 H168 F12 O16 Rh4 S4 -","4","1","","Han, Won Seok; Lee, Soon W.","Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes","Organometallics","2005","24","5","997","","10.1021/om0492404","","","0.71073","MoKα","","0.2435","0.1087","","","0.2514","0.3383","","","","","","1.025","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075732","9.2188","0.0006","19.319","0.002","21.339","0.002","90","","98.198","0.006","90","","3761.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 F3 O4 Rh S -","- C40 H44 F3 O4 Rh S -","- C160 H176 F12 O16 Rh4 S4 -","4","1","","Han, Won Seok; Lee, Soon W.","Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes","Organometallics","2005","24","5","997","","10.1021/om0492404","","","0.71073","MoKα","","0.0854","0.046","","","0.0893","0.1043","","","","","","1.019","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075733","22.908","0.003","10.666","0.002","16.549","0.003","90","","102.903","0.012","90","","3941.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 F3 O3 Rh S2 -","- C44 H44 F3 O3 Rh S2 -","- C176 H176 F12 O12 Rh4 S8 -","4","1","","Han, Won Seok; Lee, Soon W.","Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes","Organometallics","2005","24","5","997","","10.1021/om0492404","","","0.71073","MoKα","","0.1034","0.0593","","","0.1428","0.1687","","","","","","1.009","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075734","22.531","0.003","7.8443","0.0016","20.623","0.003","90","","90.929","0.009","90","","3644.4","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 F3 N O3 Rh S2 -","- C39 H39 F3 N O3 Rh S2 -","- C156 H156 F12 N4 O12 Rh4 S8 -","4","1","","Han, Won Seok; Lee, Soon W.","Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes","Organometallics","2005","24","5","997","","10.1021/om0492404","","","0.71073","MoKα","","0.0677","0.045","","","0.1061","0.1227","","","","","","1.023","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075735","11.7778","0.0017","11.5772","0.0017","14.397","0.002","90","","90.233","0.003","90","","1963.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36 B I N P -","- C15 H36 B I N P -","- C60 H144 B4 I4 N4 P4 -","4","1","","DeVasher, Rebecca B.; Spruell, Jason M.; Dixon, David A.; Broker, Grant A.; Griffin, Scott T.; Rogers, Robin D.; Shaughnessy, Kevin H.","Experimental and Computational Study of Steric and Electronic Effects on the Coordination of Bulky, Water-Soluble Alkylphosphines to Palladium under Reducing Conditions: Correlation to Catalytic Activity","Organometallics","2005","24","5","962","","10.1021/om049241w","","","0.71073","MoKα","","0.0212","0.0204","","","0.0465","0.047","","","","","","1.118","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075736","11.041","0.001","19.729","0.003","25.44","0.004","90","","98.759","0.006","90","","5476.9","1.3","108.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Si3 Zr -","- C26 H42 Si3 Zr -","- C208 H336 Si24 Zr8 -","8","1","","Suzuki, Noriyuki; Aihara, Naoto; Iwasaki, Masakazu; Saburi, Masahiko; Chihara, Teiji","Synthesis and Structure of Seven-Membered Metallacyclic Alkynes","Organometallics","2005","24","5","791","","10.1021/om0492449","","","0.7107","MoKα","","","0.0396","","","","0.1349","","","","","","1.612","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075737","8.0481","0.0016","14.164","0.003","10.821","0.002","90","","104.9","0.03","90","","1192","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N Pt S -","- C12 H15 N Pt S -","- C48 H60 N4 Pt4 S4 -","4","1","","Ye, Shengfa; Kaim, Wolfgang; Niemeyer, Mark; Hosmane, Narayan S.","Stereospecific Intramolecular S→Pt Transmethylation from 8-(Methylthio)quinoline to Coordinated PtMe2: Formation ofsyn-[fac-PtIVMe3(μ-8-quinolinethiolato)]2with Stacked Quinoline Rings","Organometallics","2005","24","5","794","","10.1021/om049247l","","","0.71073","MoKα","","0.0627","0.0503","","","0.1212","0.1306","","","","","","1.081","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075738","9.7319","0.0019","16.43","0.002","15.533","0.002","90","","96.75","0.014","90","","2466.4","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 Pt2 S2 -","- C24 H30 N2 Pt2 S2 -","- C96 H120 N8 Pt8 S8 -","4","1","","Ye, Shengfa; Kaim, Wolfgang; Niemeyer, Mark; Hosmane, Narayan S.","Stereospecific Intramolecular S→Pt Transmethylation from 8-(Methylthio)quinoline to Coordinated PtMe2: Formation ofsyn-[fac-PtIVMe3(μ-8-quinolinethiolato)]2with Stacked Quinoline Rings","Organometallics","2005","24","5","794","","10.1021/om049247l","","","0.71073","MoKα","","0.0769","0.0481","","","0.1013","0.1141","","","","","","1.049","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075739","14.403","0.003","12.499","0.003","13.997","0.003","90","","110.36","0.03","90","","2362.4","1","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C24.68 H31.05 Cl0.32 Si2 Zr -","- C24.683 H31.049 Cl0.317 Si2 Zr -","- C98.732 H124.196 Cl1.268 Si8 Zr4 -","4","1","","Song, Fuquan; Lancaster, Simon J.; Cannon, Roderick D.; Schormann, Mark; Humphrey, Simon M.; Zuccaccia, Cristiano; Macchioni, Alceo; Bochmann, Manfred","Synthesis, Ion Aggregation, Alkyl Bonding Modes, and Dynamics of 14-Electron Metallocenium Ion Pairs [(SBI)MCH2SiMe3+···X-] (M = Zr, Hf): Inner-Sphere (X = MeB(C6F5)3) versus Outer-Sphere (X = B(C6F5)4) Structures and the Implications for “Continuous” or “Intermittent” Alkene Polymerization Mechanisms","Organometallics","2005","24","6","1315","","10.1021/om049248d","","","0.71073","MoKα","","0.0299","0.0282","","","0.0754","0.0763","","","","","","1.05","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075740","14.3497","0.0002","12.5146","0.0002","13.9676","0.0002","90","","110.215","0.0009","90","","2353.81","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6","","","- C25 H32 Hf Si2 -","- C25 H32 Hf Si2 -","- C100 H128 Hf4 Si8 -","4","1","","Song, Fuquan; Lancaster, Simon J.; Cannon, Roderick D.; Schormann, Mark; Humphrey, Simon M.; Zuccaccia, Cristiano; Macchioni, Alceo; Bochmann, Manfred","Synthesis, Ion Aggregation, Alkyl Bonding Modes, and Dynamics of 14-Electron Metallocenium Ion Pairs [(SBI)MCH2SiMe3+···X-] (M = Zr, Hf): Inner-Sphere (X = MeB(C6F5)3) versus Outer-Sphere (X = B(C6F5)4) Structures and the Implications for “Continuous” or “Intermittent” Alkene Polymerization Mechanisms","Organometallics","2005","24","6","1315","","10.1021/om049248d","","","0.71073","MoKα","","0.0392","0.0288","","","0.0709","0.0755","","","","","","1.045","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075741","12.1423","0.0002","13.8662","0.0002","17.0088","0.0003","106.059","0.0006","100.705","0.0006","108.05","0.0006","2498.39","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","9","","","- C53 H44 B F15 Hf Si2 -","- C53.5 H40 B F15 Hf Si2 -","- C107 H80 B2 F30 Hf2 Si4 -","2","1","","Song, Fuquan; Lancaster, Simon J.; Cannon, Roderick D.; Schormann, Mark; Humphrey, Simon M.; Zuccaccia, Cristiano; Macchioni, Alceo; Bochmann, Manfred","Synthesis, Ion Aggregation, Alkyl Bonding Modes, and Dynamics of 14-Electron Metallocenium Ion Pairs [(SBI)MCH2SiMe3+···X-] (M = Zr, Hf): Inner-Sphere (X = MeB(C6F5)3) versus Outer-Sphere (X = B(C6F5)4) Structures and the Implications for “Continuous” or “Intermittent” Alkene Polymerization Mechanisms","Organometallics","2005","24","6","1315","","10.1021/om049248d","","","0.71073","MoKα","","0.0582","0.0426","","","0.1048","0.1188","","","","","","1.079","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075742","11.857","0.002","35.049","0.007","14.543","0.003","90","","97.79","0.03","90","","5988","2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H57 F6 Ir N O P2 Sb -","- C66 H57 F6 Ir N O P2 Sb -","- C264 H228 F24 Ir4 N4 O4 P8 Sb4 -","4","1","","Li, Xingwei; Vogel, Tiffany; Incarvito, Christopher D.; Crabtree, Robert H.","Electronic and Steric Effects in the Insertion of Alkynes into an Iridium(III) Hydride","Organometallics","2005","24","1","62","","10.1021/om049271z","","","0.71073","MoKα","","0.0888","0.0485","","","0.1161","0.1315","","","","","","1.041","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075743","25.032","0.005","14.67","0.003","13.062","0.003","90","","107.35","0.03","90","","4578.4","1.8","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H44 F6 Ir O3 P2 Sb -","- C50 H44 F6 Ir O3 P2 Sb -","- C200 H176 F24 Ir4 O12 P8 Sb4 -","4","1","","Li, Xingwei; Vogel, Tiffany; Incarvito, Christopher D.; Crabtree, Robert H.","Electronic and Steric Effects in the Insertion of Alkynes into an Iridium(III) Hydride","Organometallics","2005","24","1","62","","10.1021/om049271z","","","0.71073","MoKα","","0.0489","0.0359","","","0.0684","0.0726","","","","","","1.043","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075744","11.275","0.002","13.219","0.003","17.503","0.004","76.77","0.03","78.3","0.03","83.67","0.03","2481.1","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H58 B F4 Ir O3 P2 -","- C56 H48 B F4 Ir O2 P2 -","- C112 H96 B2 F8 Ir2 O4 P4 -","2","1","","Li, Xingwei; Vogel, Tiffany; Incarvito, Christopher D.; Crabtree, Robert H.","Electronic and Steric Effects in the Insertion of Alkynes into an Iridium(III) Hydride","Organometallics","2005","24","1","62","","10.1021/om049271z","","","0.71073","MoKα","","0.0501","0.0365","","","0.0788","0.0822","","","","","","1.036","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075745","9.7682","0.0008","11.4013","0.0007","12.4389","0.0012","76.597","0.005","86.581","0.003","85.825","0.003","1342.71","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 Ru2 -","- C30 H38 N2 Ru2 -","- C60 H76 N4 Ru4 -","2","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0473","0.036","","","0.0941","0.0993","","","","","","1.047","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075746","14.492","0.006","15.164","0.006","24.876","0.008","90","","92.62","0.03","90","","5461","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 Ru2 -","- C30 H38 N2 Ru2 -","- C240 H304 N16 Ru16 -","8","2","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.1243","0.0782","","","0.1781","0.1972","","","","","","1.142","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075747","28.9627","0.0019","11.3765","0.0009","18.6104","0.0009","90","","114.542","0.002","90","","5578","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 N2 O Ru2 -","- C31 H38 N2 O Ru2 -","- C248 H304 N16 O8 Ru16 -","8","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0497","0.0372","","","0.0928","0.0984","","","","","","1.045","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075748","12.874","0.012","11.863","0.012","21.582","0.017","90","","90","","90","","3296","5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H44 N2 O Ru2 -","- C37 H44 N2 O Ru2 -","- C148 H176 N8 O4 Ru8 -","4","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0523","0.0343","","","0.0571","0.0608","","","","","","0.921","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075749","12.555","0.002","16.084","0.004","16.663","0.002","90","","97.554","0.007","90","","3335.6","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 N3 Ru2 -","- C35 H47 N3 Ru2 -","- C140 H188 N12 Ru8 -","4","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.1978","0.0784","","","0.1202","0.1499","","","","","","0.994","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075750","16.082","0.007","13.72","0.005","16.334","0.006","90","","111.46","0.03","90","","3354","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 N3 Ru2 -","- C35 H47 N3 Ru2 -","- C140 H188 N12 Ru8 -","4","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0798","0.0548","","","0.1159","0.1253","","","","","","1.09","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075751","20.7065","0.0009","14.4762","0.0008","22.2356","0.0009","90","","90","","90","","6665.2","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H47 N3 Ru2 -","- C35 H47 N3 Ru2 -","- C280 H376 N24 Ru16 -","8","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.1063","0.0519","","","0.1058","0.1209","","","","","","0.994","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075752","8.1528","0.0003","18.2027","0.0004","11.9488","0.0004","90","","90","","90","","1773.24","0.1","150.1","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H22 Si2 -","- C20 H22 Si2 -","- C80 H88 Si8 -","4","1","","Yoshida, Hiroto; Ikadai, Junnai; Shudo, Miwa; Ohshita, Joji; Kunai, Atsutaka","Addition of Silicon−Silicon σ-Bonds to Arynes or Bisarynes Catalyzed by a Palladium Complex","Organometallics","2005","24","1","156","","10.1021/om049276w","","","0.7107","MoKα","","","0.034","","","","0.054","","","","","","0.859","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075753","9.0583","0.0005","9.4766","0.0005","12.7034","0.0007","94.149","0.002","103.896","0.0009","108.488","0.002","990.79","0.09","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 Si2 -","- C22 H24 Si2 -","- C44 H48 Si4 -","2","1","","Yoshida, Hiroto; Ikadai, Junnai; Shudo, Miwa; Ohshita, Joji; Kunai, Atsutaka","Addition of Silicon−Silicon σ-Bonds to Arynes or Bisarynes Catalyzed by a Palladium Complex","Organometallics","2005","24","1","156","","10.1021/om049276w","","","0.7107","MoKα","","","0.048","","","","0.057","","","","","","11.197","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075754","10.284","0.003","21.386","0.005","22.061","0.005","90","","90","","90","","4852","2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C20 H28 Cu2 F6 O4 -","- C20 H28 Cu2 F5.94 O4 -","- C160 H224 Cu16 F47.52 O32 -","8","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","0.71073","MoKα","","0.1197","0.0466","","","0.107","0.1251","","","","","","0.811","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075755","13.138","0.003","15.135","0.005","15.729","0.005","90","","112.78","0.05","90","","2883.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cu F3 O6 -","- C10 H12 Cu F2.97 O6 -","- C80 H96 Cu8 F23.76 O48 -","8","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","0.71073","MoKα","","0.0905","0.0436","","","0.13","0.1543","","","","","","0.882","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075756","16.142","0.005","16.712","0.005","9.861","0.003","90","","90","","90","","2660.2","1.4","233","2","233","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Cu2 F6 O8 -","- C24 H20 Cu2 F6 O8 -","- C96 H80 Cu8 F24 O32 -","4","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","1.5418","CuKα","","0.047","0.0356","","","0.0876","0.0949","","","","","","0.989","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075757","11.606","0.005","11.067","0.005","11.864","0.005","90","","94.89","0.05","90","","1518.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu2 F6 O4 -","- C12 H12 Cu2 F6 O4 -","- C48 H48 Cu8 F24 O16 -","4","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","1.5418","CuKα","","0.0401","0.0338","","","0.0895","0.0975","","","","","","0.813","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075758","11.779","0.0001","16.7882","0.0001","19.3921","0.0001","90","","90.746","0.0003","90","","3834.43","0.04","100","","100","","","","","","","","diethylether/dichloromethane","8","P 1 21 1","P 2yb","4","","(μ~2~-chloro)-bis[(η^3^-allyl)-(1,3-tert-butyl-imidazol- 2-ylidene)-palladium] hexafluorophosphate demi-diethylether demi-dichloromethane solvate","","- C61 H112 Cl4 F12 N8 O P2 Pd4 -","- C61 H112 Cl4 F12 N8 O P2 Pd4 -","- C122 H224 Cl8 F24 N16 O2 P4 Pd8 -","2","1","","Ding, Yuqiang; Goddard, Richard; Pörschke, Klaus-Richard","Cationic Dinuclear Pd−Allyl−Halide Complexes with N-Heterocyclic Carbenes","Organometallics","2005","24","3","439","","10.1021/om049317o","","","0.71073","MoKα","","0.036","0.0335","","","0.0837","0.0853","","","","","","1.039","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075759","9.975","0.001","23.147","0.0016","16.013","0.0015","90.003","0.005","93.525","0.004","90.001","0.005","3690.3","0.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H15 Ir O2 -","- C67 H15 Ir O2 -","- C268 H60 Ir4 O8 -","4","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Synthesis and Derivatization of Iridium(I) and Iridium(III) Pentamethyl[60]fullerene Complexes","Organometallics","2005","24","1","89","95","10.1021/om049333l","","x-ray","0.71073","MoKα","","0.1523","0.0913","","","0.2306","0.2921","","","","","","0.933","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4075760","9.995","0.0008","13.506","0.0013","17.145","0.0016","73.171","0.005","87.823","0.006","79.239","0.005","2176.1","0.3","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C72 H21 I2 Ir O -","- C72 H21 I2 Ir O -","- C144 H42 I4 Ir2 O2 -","2","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Synthesis and Derivatization of Iridium(I) and Iridium(III) Pentamethyl[60]fullerene Complexes","Organometallics","2005","24","1","89","95","10.1021/om049333l","","x-ray","0.71073","MoKα","","0.1033","0.0821","","","0.2226","0.2646","","","","","","1.136","","","","has coordinates","133833","2020-10-21","18:00:00",""
"4075761","12.5936","0.0007","19.4927","0.0009","13.5024","0.0008","90","","116.473","0.004","90","","2967.1","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al Cl I N2 -","- C29 H41 Al Cl I N2 -","- C116 H164 Al4 Cl4 I4 N8 -","4","1","","Zhu, Hongping; Chai, Jianfang; He, Cheng; Bai, Guangcai; Roesky, Herbert W.; Jancik, Vojtech; Schmidt, Hans-Georg; Noltemeyer, Mathias","Stepwise Hydrolysis of Aluminum Chloride Iodide LAlClI (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3) in the Presence ofN-Heterocyclic Carbene as Hydrogen Halide Acceptor†","Organometallics","2005","24","3","380","","10.1021/om049339a","","","0.71073","MoKα","","0.0368","0.0322","","","0.0939","0.0959","","","","","","1.092","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075762","13.567","0.002","13.263","0.002","17.359","0.005","90","","103.76","0.02","90","","3033.9","1.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H98 Al2 Cl2 N4 O2 -","- C64 H98 Al2 Cl2 N4 O2 -","- C128 H196 Al4 Cl4 N8 O4 -","2","0.5","","Zhu, Hongping; Chai, Jianfang; He, Cheng; Bai, Guangcai; Roesky, Herbert W.; Jancik, Vojtech; Schmidt, Hans-Georg; Noltemeyer, Mathias","Stepwise Hydrolysis of Aluminum Chloride Iodide LAlClI (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3) in the Presence ofN-Heterocyclic Carbene as Hydrogen Halide Acceptor†","Organometallics","2005","24","3","380","","10.1021/om049339a","","","0.71073","MoKα","","0.0556","0.0338","","","0.0729","0.0782","","","","","","0.923","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075763","17.3354","0.0003","17.6029","0.0004","19.3402","0.0003","90","","90","","90","","5901.73","0.19","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H60 Cl2 Co2 N2 O2 Pd -","- C74 H60 Cl2 Co2 N2 O2 Pd -","- C296 H240 Cl8 Co8 N8 O8 Pd4 -","4","1","","Prasad, R. Shyam; Anderson, Carolyn E.; Richards, Christopher J.; Overman, Larry E.","Synthesis oftert-Leucine-Derived Cobalt Oxazoline Palladacycles. Reversal of Palladation Diastereoselectivity and Application to the Asymmetric Rearrangement ofN-Aryl Trifluoroacetimidates","Organometallics","2005","24","1","77","","10.1021/om0493614","","","0.71073","MoKα","","0.0753","0.0526","","","0.0987","0.1084","","","","","","1.023","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075764","20.697","0.009","9.741","0.004","22.862","0.01","90","","109.674","0.006","90","","4340","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Fe2 O6 P S2 -","- C19 H13 Fe2 O6 P S2 -","- C152 H104 Fe16 O48 P8 S16 -","8","1","","Song, Li-Cheng; Zeng, Guang-Huai; Hu, Qing-Mei; Ge, Jian-Hua; Lou, Shao-Xia","Unexpected Preparation of Butterfly Fe/S Cluster Complexes Containing a Quaternary Phosphorus Atom via Reactions of the Anions (μ-RS)(μ-S-)Fe2(CO)6and (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Diphenylchlorophosphine","Organometallics","2005","24","1","16","","10.1021/om049372x","","","0.71073","MoKα","","0.1642","0.0694","","","0.066","0.0805","","","","","","1.008","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075765","9.408","0.004","10.438","0.004","19.084","0.008","91.396","0.007","103.41","0.007","106.192","0.006","1742.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H15 Fe4 O11 P S3 -","- C29 H15 Fe4 O11 P S3 -","- C58 H30 Fe8 O22 P2 S6 -","2","1","","Song, Li-Cheng; Zeng, Guang-Huai; Hu, Qing-Mei; Ge, Jian-Hua; Lou, Shao-Xia","Unexpected Preparation of Butterfly Fe/S Cluster Complexes Containing a Quaternary Phosphorus Atom via Reactions of the Anions (μ-RS)(μ-S-)Fe2(CO)6and (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Diphenylchlorophosphine","Organometallics","2005","24","1","16","","10.1021/om049372x","","","0.71073","MoKα","","0.0815","0.0482","","","0.1153","0.1387","","","","","","0.985","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075766","10.074","0.009","13.125","0.012","15.977","0.014","84.964","0.016","83.658","0.016","89.174","0.017","2091","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl2 Fe2 O5 P2 S2 -","- C42 H32 Cl2 Fe2 O5 P2 S2 -","- C84 H64 Cl4 Fe4 O10 P4 S4 -","2","1","","Song, Li-Cheng; Zeng, Guang-Huai; Hu, Qing-Mei; Ge, Jian-Hua; Lou, Shao-Xia","Unexpected Preparation of Butterfly Fe/S Cluster Complexes Containing a Quaternary Phosphorus Atom via Reactions of the Anions (μ-RS)(μ-S-)Fe2(CO)6and (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Diphenylchlorophosphine","Organometallics","2005","24","1","16","","10.1021/om049372x","","","0.71073","MoKα","","0.1221","0.0585","","","0.1334","0.1593","","","","","","0.977","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075767","5.8192","0.0015","17.67","0.006","7.2905","0.0019","90","","105.236","0.013","90","","723.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CpCoNSNS","","","- C5 H5 Co N2 S2 -","- C5 H5 Co N2 S2 -","- C20 H20 Co4 N8 S8 -","4","1","","Van Droogenbroeck, Joris; Van Alsenoy, Christian; Aucott, Stephen M.; Woollins, J. Derek; Hunter, Allen D.; Blockhuys, Frank","Structure, Bonding, and Reactivity of the Organometallic 1,3,2,4-Dithiadiazole Complex CpCoS2N2","Organometallics","2005","24","5","1004","","10.1021/om0494059","","","0.71073","MoKα","","0.0216","0.021","","","0.0541","0.0545","","","","","","1.075","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075768","11.9921","0.0004","14.4141","0.0008","17.4658","0.0009","90","","91.523","0.003","90","","3018","0.2","213.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O2 P2 Rh2 -","- C33 H26 N2 O2 P2 Rh2 -","- C132 H104 N8 O8 P8 Rh8 -","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","","","0.0311","","","","0.096","","","","","","0.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075769","17.66","0.004","19.519","0.004","11.385","0.002","98.98","0.02","89.908","0.007","65.347","0.004","3513.3","1.3","213.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 N2 O3 P2 Rh2 Si -","- C36 H34 N2 O3 P2 Rh2 Si -","- C144 H136 N8 O12 P8 Rh8 Si4 -","4","2","","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","","","0.1033","","","","0.2692","","","","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075770","12.826","0.001","13.777","0.002","12.64","0.001","104.166","0.003","113.28","0.005","70.131","0.002","1913.7","0.4","213.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 N2 O2 P2 Rh2 -","- C37 H34 N2 O2 P2 Rh2 -","- C74 H68 N4 O4 P4 Rh4 -","2","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","","","0.071","","","","0.2193","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075771","22.568","0.001","8.5213","0.0003","17.8092","0.0005","90","","97.387","0.002","90","","3396.4","0.2","213.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H30 N2 O2 P2 Rh2 -","- C39 H30 N2 O2 P2 Rh2 -","- C156 H120 N8 O8 P8 Rh8 -","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","","","0.0325","","","","0.0978","","","","","","0.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075772","12.884","0.0009","12.8835","0.0008","12.7042","0.0007","104.022","0.004","108.78","0.003","65.142","0.002","1797.4","0.2","213.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 N2 O2 P2 Rh2 -","- C40 H32 N2 O2 P2 Rh2 -","- C80 H64 N4 O4 P4 Rh4 -","2","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","","","","0.145","","","","","","1.271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075773","11.917","0.002","14.475","0.002","11.636","0.001","98.247","0.009","112.296","0.008","88.002","0.003","1837.5","0.4","213.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H27 Cl2 Co N2 O6 P2 Rh2 -","- C36 H27 Cl2 Co N2 O6 P2 Rh2 -","- C72 H54 Cl4 Co2 N4 O12 P4 Rh4 -","2","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","","","0.0725","","","","0.2215","","","","","","1.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075774","13.1441","0.0001","14.5146","0.0004","13.0817","0.0003","96.136","0.001","115.051","0.001","68.505","0.002","2100.27","0.08","213.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H29 Cl4 Mn N2 O7 P2 Rh2 -","- C38 H25 Cl4 Mn N2 O7 P2 Rh2 -","- C76 H50 Cl8 Mn2 N4 O14 P4 Rh4 -","2","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","","","0.0602","","","","0.1769","","","","","","1.273","","","","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",""
"4075776","22.608","0.003","19.32","0.003","22.188","0.001","90","","38.916","0.004","90","","6088","1.4","213.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H50 N4 O4 P4 Rh4 -","- C64 H50 N4 O4 P4 Rh4 -","- C256 H200 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","","","0.068","","","","0.1926","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075777","17.875","0.001","18.877","0.001","13.774","0.001","103.703","0.003","97.179","0.004","105.748","0.005","4256","0.5","213.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C91 H82 B Cl4 N4 O4 P4 Rh4 -","- C90 H71 B Cl4 N4 O4 P4 Rh4 -","- C180 H142 B2 Cl8 N8 O8 P8 Rh8 -","2","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","","","0.0664","","","","0.1792","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075778","14.221","0.002","21.678","0.002","12.315","0.002","105.141","0.005","107.05","0.01","105.634","0.008","3248","0.8","213.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H59 N4 O5 P4 Rh4 -","- C71 H59 N4 O5 P4 Rh4 -","- C142 H118 N8 O10 P8 Rh8 -","2","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","","","0.0785","","","","0.2366","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075779","10.159","0.004","21.548","0.004","21.411","0.004","90","","92.286","0.003","90","","4683","2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 Cl N5 Re -","- C52 H53 Cl N5 Re -","- C208 H212 Cl4 N20 Re4 -","4","1","","Villegas, John M.; Stoyanov, Stanislav R.; Reibenspies, Joseph H.; Rillema, D. Paul","Spectroscopic and Computational Investigations of the Temperature-Dependent Emission Behavior of [Re(CNx)5Cl] and [Re(CNx)6]+Complexes","Organometallics","2005","24","3","395","","10.1021/om049443s","","","0.71073","MoKα","","0.0699","0.0538","","","0.137","0.1506","","","","","","1.025","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075780","12.66","0.003","9.193","0.002","30.63","0.008","90","","97.081","0.005","90","","3537.6","1.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Cl2 Cr N5 O5 -","- C35 H44 Cl2 Cr N5 O5 -","- C140 H176 Cl8 Cr4 N20 O20 -","4","1","","Darensbourg, Donald J.; Mackiewicz, Ryan M.; Billodeaux, Damon R.","Pressure Dependence of the Carbon Dioxide/Cyclohexene Oxide Coupling Reaction Catalyzed by Chromium Salen Complexes. Optimization of the Comonomer-Alternating Enchainment Pathway","Organometallics","2005","24","1","144","","10.1021/om049454l","","","0.71073","MoKα","","0.213","0.1028","","","0.2231","0.2776","","","","","","0.994","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075781","8.5001","0.0006","10.0668","0.0009","15.399","0.002","85.918","0.008","87.093","0.008","87.936","0.009","1311.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H32 Ge Si -","- C31 H32 Ge Si -","- C62 H64 Ge2 Si2 -","2","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71073","MoKα","","0.0571","0.0336","","","0.0883","0.0967","","","","","","1.055","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075782","13.1197","0.001","7.4855","0.0009","24.557","0.002","90","","99.833","0.009","90","","2376.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Ge -","- C30 H28 Ge -","- C120 H112 Ge4 -","4","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71073","MoKα","","0.1128","0.034","","","0.0799","0.1016","","","","","","0.995","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075783","10.0281","0.0007","15.8575","0.001","17.1917","0.001","90","","92.231","0.008","90","","2731.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Ge Si -","- C32 H34 Ge Si -","- C128 H136 Ge4 Si4 -","4","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71073","MoKα","","0.1651","0.0483","","","0.0956","0.1248","","","","","","0.963","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075784","9.916","0.0002","15.678","0.0004","16.978","0.0005","90","","92.202","0.001","90","","2637.5","0.12","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Si2 -","- C32 H34 Si2 -","- C128 H136 Si8 -","4","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71069","MoKα","","0.0834","0.0471","","","0.0981","0.1136","","","","","","1.013","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075785","22.377","0.004","13.344","0.002","18.147","0.004","90","","117.517","0.014","90","","4805.7","1.7","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Sn -","- C30 H28 Sn -","- C240 H224 Sn8 -","8","1","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71073","MoKα","","0.0408","0.0317","","","0.0795","0.0857","","","","","","1.065","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075786","20","0.003","32.881","0.005","9.795","0.001","90","","90","","90","","6441.4","1.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C34 H40 Si2 Sn -","- C34 H40 Si2 Sn -","- C272 H320 Si16 Sn8 -","8","0.5","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71069","MoKα","","0.025","0.021","","0.0535","0.0521","","","","1.034","1.066","1.066","","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075787","8.4209","0.0008","12.858","0.0012","13.9489","0.0013","90","","91.84","0.002","90","","1509.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cr N2 O3 -","- C17 H14 Cr N2 O3 -","- C68 H56 Cr4 N8 O12 -","4","1","","Shen, Kanyi; Tian, Xiaohui; Zhong, Juhua; Lin, Jiaping; Shen, Yi; Wu, Peiyi","Metal π Complexes of Carbazole Derivatives for Optoelectronics: Synthesis, Structures, and UV−Visible Absorption Spectra of (3-Amino-9-ethylcarbazole)chromium Tricarbonyl Complexes","Organometallics","2005","24","1","127","","10.1021/om0495527","","","0.71073","MoKα","","0.1293","0.0464","","","0.063","0.0796","","","","","","0.856","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075788","12.175","0.003","13.95","0.003","10.056","0.003","90","","111.98","0.02","90","","1583.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cr N2 O3 -","- C17 H14 Cr N2 O3 -","- C68 H56 Cr4 N8 O12 -","4","1","","Shen, Kanyi; Tian, Xiaohui; Zhong, Juhua; Lin, Jiaping; Shen, Yi; Wu, Peiyi","Metal π Complexes of Carbazole Derivatives for Optoelectronics: Synthesis, Structures, and UV−Visible Absorption Spectra of (3-Amino-9-ethylcarbazole)chromium Tricarbonyl Complexes","Organometallics","2005","24","1","127","","10.1021/om0495527","","","0.71073","MoKα","","0.1214","0.0514","","","0.1423","0.2043","","","","","","1.05","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075789","12.915","0.002","13.21","0.003","15.975","0.003","77.06","0.02","71.678","0.013","66.884","0.015","2363.7","0.8","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H40 Cl4 I N2 O3 P2 Rh -","- C49 H40 Cl4 I N2 O3 P2 Rh -","- C98 H80 Cl8 I2 N4 O6 P4 Rh2 -","2","1","","Lee, Chrong-Ching; Lin, Ying-Chih; Liu, Yi-Hung; Wang, Yu","Rhodium-Catalyzed Dimerization of Terminal Alkynes Assisted by MeI","Organometallics","2005","24","1","136","","10.1021/om049604s","","","0.71073","MoKα","","0.0738","0.0454","","0.1475","0.1301","","","","0.943","1.007","1.007","","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075790","11.8742","0.0006","43.994","0.002","12.5591","0.0006","90","","96.715","0.001","90","","6515.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H74 Cl2 Cr F25 N2 -","- C63 H74 Cl2 Cr F25 N2 -","- C252 H296 Cl8 Cr4 F100 N8 -","4","1","","Alonso, Pablo J.; Forniés, Juan; García-Monforte, M. Angeles; Martín, Antonio; Menjón, Babil","A New Geometry for Homoleptic Organochromium Compounds","Organometallics","2005","24","6","1269","","10.1021/om0499106","","","0.71073","MoKα","","0.064","0.0388","","","0.0603","0.0637","","","","","","0.964","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075791","12.2225","0.0002","13.9703","0.0002","16.9809","0.0003","82.774","0.0006","73.665","0.0006","73.686","0.0008","2667","0.08","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C55.5 H47.5 B F20 N2 Sc -","- C55.5 H47.5 B F20 N2 Sc -","- C111 H95 B2 F40 N4 Sc2 -","2","1","","Hayes, Paul G.; Piers, Warren E.; Parvez, Masood","Synthesis, Structure, and Ion Pair Dynamics of β-Diketiminato-Supported Organoscandium Contact Ion Pairs","Organometallics","2005","24","6","1173","","10.1021/om050007v","","","0.71073","MoKα","","0.0902","0.0736","","","0.2329","0.2517","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075792","12.7552","0.0001","14.0148","0.0002","19.7212","0.0003","77.7032","0.0005","76.554","0.0005","68.6369","0.0008","3160.99","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H75 B F15 N2 Sc Si2 -","- C61 H75 B F15 N2 Sc Si2 -","- C122 H150 B2 F30 N4 Sc2 Si4 -","2","1","","Hayes, Paul G.; Piers, Warren E.; Parvez, Masood","Synthesis, Structure, and Ion Pair Dynamics of β-Diketiminato-Supported Organoscandium Contact Ion Pairs","Organometallics","2005","24","6","1173","","10.1021/om050007v","","","0.71073","MoKα","","0.0831","0.0595","","","0.1633","0.183","","","","","","1.014","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075793","12.0777","0.0003","11.31","0.0003","16.7043","0.0005","90","","100.634","0.0001","90","","2242.6","0.11","198","2","198","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H30 O Ru -","- C28 H30 O Ru -","- C112 H120 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0496","0.0443","","","0.1118","0.1155","","","","","","1.083","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075794","9.8991","0.001","10.9444","0.001","17.9392","0.001","74.28","0.02","82.94","0.02","69.57","0.02","1752.3","0.4","253","2","253","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H45 O1.5 Ru -","- C44 H45 O1.5 Ru -","- C88 H90 O3 Ru2 -","2","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.1879","0.0493","","","0.1038","0.1357","","","","","","0.886","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075795","16.7107","0.0004","7.5123","0.0002","20.7493","0.0006","90","","101.956","0.0001","90","","2548.27","0.12","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 O Ru -","- C30 H34 O Ru -","- C120 H136 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0898","0.0504","","","0.095","0.1103","","","","","","1.054","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075796","10.9164","0.0003","17.8403","0.0006","18.6151","0.0005","90","","106.395","0.002","90","","3477.91","0.18","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 O Ru -","- C44 H44 O Ru -","- C176 H176 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0763","0.0448","","","0.0793","0.0924","","","","","","1.101","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075797","44.0085","0.0005","44.0085","0.0005","8.6969","0.0001","90","","90","","120","","14587.1","0.3","208","2","208","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H36 O9 Ru -","- C28 H36 O9 Ru -","- C504 H648 O162 Ru18 -","18","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0753","0.0458","","","0.1102","0.1247","","","","","","1.089","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075798","7.5664","0.0015","13.433","0.003","20.191","0.004","90","","98.97","0.03","90","","2027.1","0.7","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 O Ru -","- C22 H32 O Ru -","- C88 H128 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0758","0.0388","","","0.0748","0.0851","","","","","","1.009","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075799","14.8137","0.0001","22.6355","0.0001","17.6457","0.0001","90","","103.995","0.0003","90","","5741.24","0.06","100","","100","","","","","","","","dichloromethane","7","P 1 21/c 1","-P 2ybc","14","","(μ~2~-bromo)bis((η^3^-allyl)(trimethylphosphine)palladium) tetra(pentafluorophenyl)borate","","- C54 H64 B Br F20 P2 Pd2 -","- C54 H63 B Br F20 P2 Pd2 -","- C216 H252 B4 Br4 F80 P8 Pd8 -","4","1","","Alberti, Davide; Goddard, Richard; Pörschke, Klaus-Richard","Dinuclear [{(π-C3H5)M(PR3)}2(μ-X)]Y Complexes of Nickel and Palladium†","Organometallics","2005","24","16","3907","","10.1021/om050020f","","","0.71073","MoKα","","0.0571","0.0484","","","0.1184","0.1239","","","","","","1.017","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075800","15.0314","0.0003","17.5337","0.0002","22.1486","0.0004","90","","90","","90","","5837.4","0.17","100","","100","","","","","","","","dichloromethane/pentane","8","P 21 21 21","P 2ac 2ab","19","","(μ~2~-bromo)bis((η^3^-allyl)(triisopropylphosphine)nickel) tetra(nonafluoro-tetrabutoxy)aluminate","","- C40 H52 Al Br F36 Ni2 O4 P2 -","- C40 H52 Al Br F36 Ni2 O4 P2 -","- C160 H208 Al4 Br4 F144 Ni8 O16 P8 -","4","1","","Alberti, Davide; Goddard, Richard; Pörschke, Klaus-Richard","Dinuclear [{(π-C3H5)M(PR3)}2(μ-X)]Y Complexes of Nickel and Palladium†","Organometallics","2005","24","16","3907","","10.1021/om050020f","","","0.71073","MoKα","","0.0614","0.0427","","","0.0752","0.0814","","","","","","1.045","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075801","18.6709","0.0011","10.0493","0.0006","20.2826","0.0012","90","","100.508","0.001","90","","3741.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6","Cyclohexyl-bis[N-(dimethylamino)pivaloimidato-N,O]siliconium chloride","","- C23 H44 Cl10 N4 O2 Si -","- C23 H44 Cl10 N4 O2 Si -","- C92 H176 Cl40 N16 O8 Si4 -","4","1","","Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1","Organometallics","2005","24","12","2913","","10.1021/om0500568","","","0.71073","MoKα","","0.0579","0.0529","","","0.14","0.145","","","","","","1.036","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075802","18.726","0.003","8.0215","0.0013","15.525","0.003","90","","90","","90","","2332","0.7","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","7","Cyclohexyl-bis[N-(dimethylamino)trifluoroacetimidato-N,O]siliconium triflate","","- C15 H23 F9 N4 O5 S Si -","- C15 H23 F9 N4 O5 S Si -","- C60 H92 F36 N16 O20 S4 Si4 -","4","1","","Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1","Organometallics","2005","24","12","2913","","10.1021/om0500568","","","0.71073","MoKα","","0.0315","0.0307","","","0.0767","0.0772","","","","","","1.085","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075803","8.0658","0.0016","9.4973","0.0019","12.373","0.003","81.993","0.003","73.243","0.003","83.597","0.003","896.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","9","Cyclohexyl[N-(dimethylamino)trifluoroacetimidato-N,O][N-(methylamino)trifluoroacetimidato-N,O]silicon(IV)","","- C13 H20 F6 N4 O2 Si -","- C13 H20 F6 N4 O2 Si -","- C26 H40 F12 N8 O4 Si2 -","2","1","","Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1","Organometallics","2005","24","12","2913","","10.1021/om0500568","","","0.71073","MoKα","","0.0324","0.0308","","","0.0806","0.0816","","","","","","1.053","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075804","12.6354","0.0016","14.4617","0.0018","15.3457","0.0019","90","","92.675","0.003","90","","2801.1","0.6","153","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 B N8 O4 Re -","- C25 H30 B N8 O4 Re -","- C100 H120 B4 N32 O16 Re4 -","4","1","","You, Fei; Friedman, Lee A.; Bassett, Kimberley C.; Lin, Yunqing; Sabat, Michal; Harman, W. Dean","Rhenium(I) η2-Coordinated Furan Complexes: Converting Furan into a 1,3-Carbon Dipole","Organometallics","2005","24","12","2903","","10.1021/om050075h","","","0.71073","MoKα","","0.0648","0.0408","","","0.0804","0.0853","","","","","","0.919","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075805","12.7397","0.0012","14.4668","0.0013","15.3706","0.0014","90","","93.652","0.002","90","","2827.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 B N8 O3 Re -","- C27 H30 B N8 O3 Re -","- C108 H120 B4 N32 O12 Re4 -","4","1","","You, Fei; Friedman, Lee A.; Bassett, Kimberley C.; Lin, Yunqing; Sabat, Michal; Harman, W. Dean","Rhenium(I) η2-Coordinated Furan Complexes: Converting Furan into a 1,3-Carbon Dipole","Organometallics","2005","24","12","2903","","10.1021/om050075h","","","0.71073","MoKα","","0.056","0.035","","","0.0582","0.0625","","","","","","0.872","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075806","14.2873","0.0006","11.7338","0.0005","16.441","0.0007","90","","104.268","0.001","90","","2671.2","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B N8 O3 Re -","- C24 H30 B N8 O3 Re -","- C96 H120 B4 N32 O12 Re4 -","4","1","","You, Fei; Friedman, Lee A.; Bassett, Kimberley C.; Lin, Yunqing; Sabat, Michal; Harman, W. Dean","Rhenium(I) η2-Coordinated Furan Complexes: Converting Furan into a 1,3-Carbon Dipole","Organometallics","2005","24","12","2903","","10.1021/om050075h","","","0.71073","MoKα","","0.0251","0.0201","","","0.0443","0.0451","","","","","","0.922","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075807","14.9271","0.0007","11.7351","0.0006","16.1451","0.0008","90","","107.317","0.001","90","","2700","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 B N8 O3 Re -","- C25 H32 B N8 O3 Re -","- C100 H128 B4 N32 O12 Re4 -","4","1","","You, Fei; Friedman, Lee A.; Bassett, Kimberley C.; Lin, Yunqing; Sabat, Michal; Harman, W. Dean","Rhenium(I) η2-Coordinated Furan Complexes: Converting Furan into a 1,3-Carbon Dipole","Organometallics","2005","24","12","2903","","10.1021/om050075h","","","0.71073","MoKα","","0.0281","0.0223","","","0.047","0.0479","","","","","","0.924","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075808","10.652","0.0002","11.734","0.0001","16.121","0.0002","103.535","0.0009","96.215","0.0009","110.867","0.0009","1789.33","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 Cl2 F2 N2 Ni P2 -","- C40 H30 Cl2 F2 N2 Ni P2 -","- C80 H60 Cl4 F4 N4 Ni2 P4 -","2","1","","Steffen, Andreas; Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","Catalytic C−C Coupling Reactions at Nickel by C−F Activation of a Pyrimidine in the Presence of a C−Cl Bond: The Crucial Role of Highly Reactive Fluoro Complexes","Organometallics","2005","24","16","4057","","10.1021/om050080l","","","0.71073","MoKα","","0.0487","0.0339","","","0.0792","0.0847","","","","","","1.046","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075809","15.858","0.0001","11.677","0.0001","20.038","0.0002","90","","110.995","0.0006","90","","3464.18","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl F3 N2 P2 Pd -","- C40 H30 Cl F3 N2 P2 Pd -","- C160 H120 Cl4 F12 N8 P8 Pd4 -","4","1","","Steffen, Andreas; Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","Catalytic C−C Coupling Reactions at Nickel by C−F Activation of a Pyrimidine in the Presence of a C−Cl Bond: The Crucial Role of Highly Reactive Fluoro Complexes","Organometallics","2005","24","16","4057","","10.1021/om050080l","","","0.71073","MoKα","","0.035","0.0259","","","0.0605","0.0636","","","","","","1.03","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075810","12.436","0.0002","13.196","0.0002","15.318","0.0003","77.159","0.0011","72.601","0.0009","83.734","0.001","2336.3","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H47 Cl2 F N2 Ni P2 -","- C56.5 H47 Cl2 F N2 Ni P2 -","- C113 H94 Cl4 F2 N4 Ni2 P4 -","2","1","","Steffen, Andreas; Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","Catalytic C−C Coupling Reactions at Nickel by C−F Activation of a Pyrimidine in the Presence of a C−Cl Bond: The Crucial Role of Highly Reactive Fluoro Complexes","Organometallics","2005","24","16","4057","","10.1021/om050080l","","","0.71073","MoKα","","0.0453","0.0328","","","0.0748","0.0808","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075811","25.082","0.005","14.3889","0.0002","18.7925","0.0003","90","","105.055","0.001","90","","6549.5","1.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H34 N2 S2 Si2 Zn -","- C12 H33 N2 S2 Si2 Zn -","- C144 H396 N24 S24 Si24 Zn12 -","12","1.5","","DeGroot, Marty W.; Corrigan, John F.","Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands","Organometallics","2005","24","14","3378","","10.1021/om050088v","","x-ray","0.71073","MoKα","","0.0818","0.0442","","","0.1047","0.118","","","","","","1.113","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075812","9.9388","0.0002","17.7413","0.0004","15.1322","0.0004","90","","94.876","0.0011","90","","2658.56","0.11","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 N2 S2 Si2 Zn -","- C20 H36 N2 S2 Si2 Zn -","- C80 H144 N8 S8 Si8 Zn4 -","4","1","","DeGroot, Marty W.; Corrigan, John F.","Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands","Organometallics","2005","24","14","3378","","10.1021/om050088v","","x-ray","0.71073","MoKα","","0.1075","0.0455","","","0.0916","0.1073","","","","","","1.008","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075813","9.1381","0.0008","9.9833","0.0009","16.591","0.002","95.712","0.004","91.288","0.003","116.026","0.008","1349.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 N2 Se2 Si2 Zn -","- C20 H36 N2 Se2 Si2 Zn -","- C40 H72 N4 Se4 Si4 Zn2 -","2","1","","DeGroot, Marty W.; Corrigan, John F.","Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands","Organometallics","2005","24","14","3378","","10.1021/om050088v","","x-ray","0.71073","MoKα","","0.0934","0.0728","","","0.1703","0.1792","","","","","","1.109","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075814","8.2987","0.0002","14.8275","0.0003","20.5498","0.0004","90","","110.96","0.001","90","","2361.31","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N2 Si2 Te2 Zn -","- C12 H34 N2 Si2 Te2 Zn -","- C48 H136 N8 Si8 Te8 Zn4 -","4","1","","DeGroot, Marty W.; Corrigan, John F.","Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands","Organometallics","2005","24","14","3378","","10.1021/om050088v","","x-ray","0.71073","MoKα","","0.0662","0.0337","","","0.0606","0.0691","","","","","","1.012","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075815","9.111","0.0007","9.5138","0.0009","14.4104","0.0011","103.118","0.004","98.306","0.004","110.229","0.004","1106.98","0.17","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Hf N2 O -","- C24 H32 Hf N2 O -","- C48 H64 Hf2 N4 O2 -","2","1","","Yasumoto, Takahiro; Yamagata, Tsuneaki; Mashima, Kazushi","Isoselective Living Polymerization of 1-Hexene Catalyzed by Half-Metallocene Dimethyl Complexes of Hafnium with Bidentate N-Substituted (Iminomethyl)pyrrolyl Ligands","Organometallics","2005","24","14","3375","","10.1021/om050108t","","","0.71075","MoKα","","0.0381","0.0363","","","0.0982","0.0992","","","","","","1.141","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075816","12.9296","0.0002","12.9776","0.0002","22.904","0.0003","90","","105.394","0.001","90","","3705.3","0.1","100","","100","","","","","","","","THF/Toluene","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 B F15 O2 S Zr -","- C40 H28 B F15 O2 S Zr -","- C160 H112 B4 F60 O8 S4 Zr4 -","4","1","","Lian, Bing; Lehmann, Christian W.; Navarro, Christophe; Carpentier, Jean-François","Model Studies of Methacrylate Chain Transfer Polymerization Mediated by Cationic Zirconocenetert-Butyl Enolate","Organometallics","2005","24","10","2466","","10.1021/om050119m","","","0.71073","MoKα","","0.0603","0.0349","","","0.0623","0.0697","","","","","","1.015","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075817","16.191","0.003","15.763","0.003","19.781","0.004","90","","90","","90","","5048.5","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 B9 Rh -","- C24 H32 B9 Rh -","- C192 H256 B72 Rh8 -","8","1","","Safronov, Alexander V.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Chizhevsky, Igor T.","Low-Temperature “1,2 →1,7” Isomerization of Sterically Crowded Icosahedralcloso-((2,3,8-η3):(5,6-η2)- Norbornadien-2-yl)rhodacarborane via the Formation of a Pseudocloso Intermediate. Molecular Structures of [3,3-((2,3,8-η3):(5,6-η2)-C7H7CH2)-1,2-(4‘-MeC6H4)2- 3,1,2-pseudocloso-RhC2B9H9] and 1,2 →1,7 Isomerized Products","Organometallics","2005","24","12","2964","","10.1021/om050125i","","","0.71073","MoKα","","0.1223","0.0419","","","0.0935","0.109","","","","","","0.849","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4075818","11.495","0.002","15.988","0.003","13.396","0.003","90","","100.015","0.004","90","","2424.4","0.8","115","1","115","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 B9 Rh -","- C24 H32 B9 Rh -","- C96 H128 B36 Rh4 -","4","1","","Safronov, Alexander V.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Chizhevsky, Igor T.","Low-Temperature “1,2 →1,7” Isomerization of Sterically Crowded Icosahedralcloso-((2,3,8-η3):(5,6-η2)- Norbornadien-2-yl)rhodacarborane via the Formation of a Pseudocloso Intermediate. Molecular Structures of [3,3-((2,3,8-η3):(5,6-η2)-C7H7CH2)-1,2-(4‘-MeC6H4)2- 3,1,2-pseudocloso-RhC2B9H9] and 1,2 →1,7 Isomerized Products","Organometallics","2005","24","12","2964","","10.1021/om050125i","","","0.71073","MoKα","","0.0527","0.0459","","","0.1071","0.1107","","","","","","1.015","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075819","12.7644","0.0013","12.327","0.0012","15.8631","0.0016","90","","100.063","0.002","90","","2457.6","0.4","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 B9 Rh -","- C24 H32 B9 Rh -","- C96 H128 B36 Rh4 -","4","1","","Safronov, Alexander V.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Chizhevsky, Igor T.","Low-Temperature “1,2 →1,7” Isomerization of Sterically Crowded Icosahedralcloso-((2,3,8-η3):(5,6-η2)- Norbornadien-2-yl)rhodacarborane via the Formation of a Pseudocloso Intermediate. Molecular Structures of [3,3-((2,3,8-η3):(5,6-η2)-C7H7CH2)-1,2-(4‘-MeC6H4)2- 3,1,2-pseudocloso-RhC2B9H9] and 1,2 →1,7 Isomerized Products","Organometallics","2005","24","12","2964","","10.1021/om050125i","","","0.71073","MoKα","","0.1104","0.0587","","","0.1321","0.1455","","","","","","0.945","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075820","11.4483","0.0011","19.4368","0.0019","43.765","0.004","90","","90","","90","","9738.5","1.6","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 N2 O Pd -","- C35 H48 N2 O Pd -","- C420 H576 N24 O12 Pd12 -","12","3","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0474","0.0395","","","0.0861","0.0893","","","","","","1.115","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075821","9.6685","0.0004","13.0421","0.0006","14.892","0.0007","71.67","0.001","81.25","0.001","71.083","0.001","1683.65","0.13","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O Pd -","- C38 H46 N2 O Pd -","- C76 H92 N4 O2 Pd2 -","2","1","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0415","0.0364","","","0.0937","0.0962","","","","","","1.056","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075822","8.8271","0.0004","19.8265","0.001","22.4034","0.0011","90","","94.913","0.001","90","","3906.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 N3 Pd -","- C44 H57 N3 Pd -","- C176 H228 N12 Pd4 -","4","1","","Kang, Myeongsoon; Sen, Ayusman","Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity","Organometallics","2005","24","14","3508","3515","10.1021/om050126a","","","0.71073","MoKα","","0.0282","0.0256","","","0.0677","0.0693","","","","","","1.056","","","","has coordinates","210320","2020-10-21","18:00:00",""
"4075823","6.4722","0.0015","10.3","0.002","17.749","0.004","90","","90","","90","","1183.2","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 B8 Fe -","- C8 H16 B8 Fe -","- C32 H64 B32 Fe4 -","4","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.0482","0.0415","","","0.0895","0.0922","","","","","","1.069","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075824","6.7971","0.0012","9.9299","0.0018","17.569","0.003","90","","91.42","0.004","90","","1185.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 B8 Fe -","- C8 H16 B8 Fe -","- C32 H64 B32 Fe4 -","4","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.0723","0.0425","","","0.075","0.0813","","","","","","0.935","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075825","10.141","0.004","14.429","0.004","24.061","0.007","90","","90","","90","","3521","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H26 B8 Ru -","- C13 H26 B8 Ru -","- C104 H208 B64 Ru8 -","8","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.1177","0.0608","","","0.1251","0.1411","","","","","","1.02","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075826","11.254","0.0001","13.4683","0.0001","20.6529","0.0002","90","","100.32","0.0004","90","","3079.77","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Br2 N4 O Pt -","- C28 H46 Br2 N4 O Pt -","- C112 H184 Br8 N16 O4 Pt4 -","4","1","","Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard","Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes","Organometallics","2005","24","12","2944","","10.1021/om050144s","","","0.71073","MoKα","","0.0364","0.0304","","","0.0684","0.0705","","","","","","1.133","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075827","9.9208","0.0001","11.6735","0.0001","21.8509","0.0002","90","","99.9722","0.0005","90","","2492.33","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 Pt -","- C26 H28 N2 Pt -","- C104 H112 N8 Pt4 -","4","1","","Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard","Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes","Organometallics","2005","24","12","2944","","10.1021/om050144s","","","0.71073","MoKα","","0.0297","0.0208","","","0.0451","0.0474","","","","","","1.049","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075828","10.091","0.001","9.3702","0.0007","23.476","0.003","90","","111.232","0.007","90","","2069.1","0.4","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C45 H48 Br2 N2 P2 Pt -","- C45 H48 Br2 N2 P2 Pt -","- C90 H96 Br4 N4 P4 Pt2 -","2","0.5","","Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard","Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes","Organometallics","2005","24","12","2944","","10.1021/om050144s","","","0.71073","MoKα","","0.0339","0.0322","","","0.0881","0.0891","","","","","","1.095","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075829","11.0727","0.0001","17.2827","0.0002","18.1957","0.0002","86.1892","0.0007","79.81","0.0008","82.8972","0.0004","3397.27","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H74 Cl6 N2 Pd2 Pt S4 -","- C52 H74 Cl6 N2 Pd2 Pt S4 -","- C104 H148 Cl12 N4 Pd4 Pt2 S8 -","2","1","","Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard","Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes","Organometallics","2005","24","12","2944","","10.1021/om050144s","","","0.71073","MoKα","","0.0489","0.0391","","","0.1047","0.1104","","","","","","1.072","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075830","12.644","0.002","14.45","0.003","13.141","0.003","90","","118.007","0.003","90","","2119.8","0.7","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","4,6-Dilithiodibenzofuran-1.5(tmeda)","","","- C42 H60 Li4 N6 O2 -","- C42 H60 Li4 N6 O2 -","- C84 H120 Li8 N12 O4 -","2","1","","Wang, Huadong; Gabbaï, François P.","Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts","Organometallics","2005","24","12","2898","","10.1021/om050165m","","","0.71073","MoKα","","0.138","0.0814","","","0.1611","0.1876","","","","","","1.003","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075831","13.03","0.002","17.639","0.003","20.807","0.004","90","","90","","90","","4782.2","1.4","110","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","4,5-Dilithio-9,9-dimethylxanthene-1.5(tmeda)","","","- C48 H72 Li4 N6 O2 -","- C48 H72 Li4 N6 O2 -","- C192 H288 Li16 N24 O8 -","4","0.5","","Wang, Huadong; Gabbaï, François P.","Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts","Organometallics","2005","24","12","2898","","10.1021/om050165m","","","0.71073","MoKα","","0.0733","0.0493","","","0.1329","0.1542","","","","","","1.067","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075832","15.976","0.003","18.738","0.004","16.169","0.003","90","","114.29","0.03","90","","4411.8","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,6-bis(dimesitylboryl)dibenzofuran","","","- C55 H58 B2 O -","- C55 H58 B2 O -","- C220 H232 B8 O4 -","4","1","","Wang, Huadong; Gabbaï, François P.","Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts","Organometallics","2005","24","12","2898","","10.1021/om050165m","","","0.71073","MoKα","","0.1161","0.0871","","","0.172","0.2086","","","","","","1.009","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075833","8.5944","0.0015","17.482","0.003","18.411","0.003","102.425","0.003","96.536","0.003","95.131","0.003","2665.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N2 P Pb Si2 -","- C24 H33 N2 P Pb Si2 -","- C96 H132 N8 P4 Pb4 Si8 -","4","2","","Murso, Alexander; Straka, Michal; Kaupp, Martin; Bertermann, Rüdiger; Stalke, Dietmar","A Heterotopically Chelated Low-Valent Lead Amide1","Organometallics","2005","24","14","3576","","10.1021/om0501677","","","0.71073","MoKα","","0.0206","0.0179","","","0.0405","0.0412","","","","","","1.085","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075834","13.128","0.003","46.24","0.01","10.72","0.003","90","","102.89","0.02","90","","6343","3","298.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 O Si4 -","- C64 H90 O Si4 -","- C256 H360 O4 Si16 -","4","1","","Naka, Akinobu; Ohnishi, Hidenobu; Ohshita, Joji; Ikadai, Junnai; Kunai, Atsutaka; Ishikawa, Mitsuo","Silicon−Carbon Unsaturated Compounds. 70. Thermolysis and Photolysis of Acylpolysilanes with Mesitylacetylene","Organometallics","2005","24","22","5356","","10.1021/om050174v","","","0.7107","MoKα","","","0.064","","","","0.059","","","","","","1.342","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075835","28.993","0.003","11.078","0.0011","21.234","0.002","90","","125.623","0.002","90","","5543.8","1","130","2","130","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H69 F3 N2 O6 P2 Ru S -","- C60 H69 F3 N2 O6 P2 Ru S -","- C240 H276 F12 N8 O24 P8 Ru4 S4 -","4","1","","Smurnyy, Yegor; Bibal, Christine; Pink, Maren; Caulton, Kenneth G.","New Features of Bis(phosphinimine)-“carbene” Binding to RuII","Organometallics","2005","24","16","3849","","10.1021/om050180r","","","0.71073","MoKα","","0.0588","0.0446","","","0.1027","0.1095","","","","","","1.026","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075836","7.9524","0.0018","13.352","0.003","8.6274","0.0019","90","","94.698","0.004","90","","913","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N S -","- C9 H13 N S -","- C36 H52 N4 S4 -","4","1","","Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A.","Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II)","Organometallics","2005","24","12","2862","","10.1021/om050186g","","","0.71073","MoKα","","0.0798","0.059","","","0.1332","0.1425","","","","","","1.068","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075837","10.7792","0.0005","12.3603","0.0006","16.5312","0.0008","74.565","0.001","76.514","0.001","72.986","0.001","2001.13","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 N O P2 Ru S -","- C48 H45 N O P2 Ru S -","- C96 H90 N2 O2 P4 Ru2 S2 -","2","1","","Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A.","Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II)","Organometallics","2005","24","12","2862","","10.1021/om050186g","","","0.71073","MoKα","","0.0388","0.0359","","","0.0904","0.0925","","","","","","1.039","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075838","49.254","0.003","9.4757","0.0006","23.9076","0.0015","90","","116.917","0.001","90","","9949.2","1.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H53 N O P2 Ru S -","- C62 H53 N O P2 Ru S -","- C496 H424 N8 O8 P16 Ru8 S8 -","8","1","","Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A.","Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II)","Organometallics","2005","24","12","2862","","10.1021/om050186g","","","0.71073","MoKα","","0.0619","0.0468","","","0.0965","0.1029","","","","","","1.056","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075839","10.9041","0.0005","14.015","0.0006","15.4302","0.0007","87.229","0.001","75.606","0.001","67.224","0.001","2102.91","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H43 N O2 P2 Ru -","- C51 H43 N O2 P2 Ru -","- C102 H86 N2 O4 P4 Ru2 -","2","1","","Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A.","Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II)","Organometallics","2005","24","12","2862","","10.1021/om050186g","","","0.71073","MoKα","","0.0637","0.0618","","","0.1405","0.1416","","","","","","1.112","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075840","32.628","0.004","8.475","0.0009","33.522","0.004","90","","92.507","0.002","90","","9260.7","1.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Cl N2 Ni -","- C26 H31 Cl N2 Ni -","- C416 H496 Cl16 N32 Ni16 -","16","2","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.0925","0.0915","","","0.2155","0.2158","","","","","","1.165","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075841","18.4334","0.0007","13.3687","0.0005","14.2661","0.0006","90","","92.982","0.001","90","","3510.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cl N2 Ni -","- C39 H49 Cl N2 Ni -","- C156 H196 Cl4 N8 Ni4 -","4","1","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.035","0.0276","","","0.0731","0.0763","","","","","","1.011","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075842","12.7389","0.0006","14.5152","0.0007","16.6898","0.0008","90","","105.828","0.001","90","","2969.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Cl N2 Ni -","- C32 H43 Cl N2 Ni -","- C128 H172 Cl4 N8 Ni4 -","4","1","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.0358","0.031","","","0.0866","0.0952","","","","","","1.187","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075843","8.3272","0.0003","9.3265","0.0003","16.8608","0.0006","90","","90","","90","","1309.47","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl Ni P -","- C11 H20 Cl Ni P -","- C44 H80 Cl4 Ni4 P4 -","4","1","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.0184","0.0184","","","0.0476","0.0476","","","","","","1.657","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075844","14.5127","0.0009","27.2407","0.0017","14.6617","0.0009","90","","92.308","0.001","90","","5791.6","0.6","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-(1,1-cyclopentylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)","","- C31 H44 N2 -","- C31 H44 N2 -","- C248 H352 N16 -","8","2","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0858","0.0578","","","0.1632","0.1922","","","","","","1.008","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075845","11.6301","0.0005","11.6674","0.0005","11.9371","0.0005","77.15","0.001","71.05","0.001","69.572","0.001","1424.74","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","N,N'-(1,1-cyclohexylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)","","- C32 H46 N2 -","- C32 H46 N2 -","- C64 H92 N4 -","2","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0516","0.0423","","","0.1108","0.1193","","","","","","1.039","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075846","21.2936","0.0011","12.1438","0.0006","12.0665","0.0007","90","","90","","90","","3120.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{N,N'-(1,1-cyclopentylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)}-dichloro-palladium(II)","","- C31 H45 Cl2 N2 Pd -","- C31 H44 Cl2 N2 Pd -","- C124 H176 Cl8 N8 Pd4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0377","0.0274","","","0.0618","0.0665","","","","","","1.002","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075847","12.1042","0.0005","17.2671","0.0007","21.1808","0.0008","90","","90","","90","","4426.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{N,N'-(1,1-cyclohexylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)}-dichloro-palladium(II) tris-chloroform solvate","","- C35 H49 Cl11 N2 Pd -","- C35 H49 Cl11 N2 Pd -","- C140 H196 Cl44 N8 Pd4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.048","0.0391","","","0.097","0.1031","","","","","","1.03","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075848","10.8303","0.0007","18.3935","0.0011","11.8584","0.0007","90","","91.664","0.001","90","","2361.3","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{N,N'-(1,1-cyclopentylidenemethylidyne)bis(1,1-dimethylethaneamine)}- dichloro-palladium(II) chloroform solvate","","- C16 H29 Cl5 N2 Pd -","- C16 H29 Cl5 N2 Pd -","- C64 H116 Cl20 N8 Pd4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0549","0.0408","","","0.096","0.1032","","","","","","1.014","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075849","26.0226","0.001","19.716","0.0007","16.4642","0.0006","90","","126.735","0.001","90","","6769.6","0.4","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{N,N'-(1,1-dyclopentylidenemethylidyne)bis(2,6-bis(1-methylethyl)- benzeneamine)}-tetrachloro-dipalladium(II)","","- C31 H44 Cl4 N2 Pd2 -","- C31 H44 Cl4 N2 Pd2 -","- C248 H352 Cl32 N16 Pd16 -","8","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0647","0.0395","","","0.0827","0.0931","","","","","","1.012","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075850","15.1188","0.0007","13.3814","0.0006","17.6356","0.0008","90","","115.189","0.001","90","","3228.6","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{N,N'-(1,1-cyclopentylidenedimethylidyne)bis(2,6-bis(1-methylethyl) benzenamine)}-dibromo-nickel(II)","","- C31 H44 Br2 N2 Ni -","- C31 H44 Br2 N2 Ni -","- C124 H176 Br8 N8 Ni4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0537","0.0334","","","0.0825","0.0924","","","","","","1.01","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075851","16.7","0.003","23.066","0.005","21.127","0.004","90","","90","","90","","8138","3","120","2","120","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C65 H32 Cl6 N2 O28 P2 Rh12 -","- C65 H26 Cl6 N2 O28 P2 Rh12 -","- C260 H104 Cl24 N8 O112 P8 Rh48 -","4","0.5","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo","Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand","Organometallics","2005","24","14","3516","","10.1021/om0502032","","","0.71073","MoKα","","0.0387","0.0311","","","0.0643","0.0674","","","","","","1.045","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075852","9.9103","0.0006","12.8948","0.0008","14.9814","0.001","89.197","0.004","89.266","0.005","71.65","0.004","1816.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H26 N2 O30 P2 Ru12 -","- C66 H26 N2 O30 P2 Ru12 -","- C66 H26 N2 O30 P2 Ru12 -","1","0.5","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo","Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand","Organometallics","2005","24","14","3516","","10.1021/om0502032","","","0.71073","MoKα","","0.0787","0.0464","","","0.1063","0.1216","","","","","","1.056","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075853","30.9444","0.0004","17.9287","0.0002","35.4368","0.0005","90","","114.522","0.005","90","","17886.8","0.8","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74.5 H50 Cl3 N2 O29 P2 Rh6 Ru6 -","- C74.47 H49.93 Cl3 N2 O29 P2 Rh6 Ru6 -","- C595.76 H399.44 Cl24 N16 O232 P16 Rh48 Ru48 -","8","2","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo","Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand","Organometallics","2005","24","14","3516","","10.1021/om0502032","","","0.71073","MoKα","","0.0754","0.053","","","0.1326","0.1462","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075854","9.7965","0.0007","18.9469","0.0013","21.085","0.0014","68.782","0.001","86.598","0.001","89.305","0.001","3641.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 F15 N Pd -","- C36 H40 F15 N Pd -","- C144 H160 F60 N4 Pd4 -","4","2","","Forniés, Juan; Martín, Antonio; Martín, L. Francisco; Menjón, Babil; Tsipis, Athanassios","All-Organometallic Analogues of Zeise's Salt for the Three Group 10 Metals","Organometallics","2005","24","14","3539","","10.1021/om0502077","","","0.71073","MoKα","","0.0589","0.0423","","","0.0982","0.1066","","","","","","1.06","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075855","22.6221","0.0006","13.3919","0.0003","19.7152","0.0005","90","","101.282","0.002","90","","5857.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H73 Al N6 P2 Si4 Ta2 -","- C52 H72.531 Al N6 P2 Si4 Ta2 -","- C208 H290.124 Al4 N24 P8 Si16 Ta8 -","4","1","","MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.","Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement","Organometallics","2005","24","16","3836","","10.1021/om050208z","","","0.71069","MoKα","","0.0403","0.0257","","","0.06","0.0665","","","","","","0.865","","","","has coordinates,has disorder","287896","2023-11-30","16:33:03",""
"4075856","20.4244","0.0005","19.9666","0.0005","29.2898","0.0008","90","","90","","90","","11944.6","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Al N6 P2 Si4 Ta2 -","- C52 H73 Al N6 P2 Si4 Ta2 -","- C416 H584 Al8 N48 P16 Si32 Ta16 -","8","1","","MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.","Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement","Organometallics","2005","24","16","3836","","10.1021/om050208z","","","0.71069","MoKα","","0.0771","0.0344","","","0.0726","0.087","","","","","","0.833","","","","has coordinates,has disorder","287896","2023-11-30","16:33:03",""
"4075857","10.1787","0.0005","14.5223","0.0006","13.365","0.0006","90","","102.214","0.001","90","","1930.87","0.15","86","2","86","2","","","","","","","","5","P 1 n 1","P -2yac","7","bis-diazolePdCl2 + 0.5MeCN","","","- C16 H25.5 Cl2 N4.5 Pd -","- C16 H25.5 Cl2 N4.5 Pd -","- C64 H102 Cl8 N18 Pd4 -","4","2","","Jin, Chuan-Ming; Twamley, Brendan; Shreeve, Jean'ne M.","Low-Melting Dialkyl- and Bis(polyfluoroalkyl)-Substituted 1,1‘-Methylenebis(imidazolium) and 1,1‘-Methylenebis(1,2,4-triazolium) Bis(trifluoromethanesulfonyl)amides: Ionic Liquids Leading to Bis(N-heterocyclic carbene) Complexes of Palladium","Organometallics","2005","24","12","3020","","10.1021/om050210q","","","0.71073","MoKα","","0.032","0.0311","","","0.0721","0.0725","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075858","18.274","0.004","18.582","0.004","27.929","0.006","96.925","0.004","103.277","0.004","90.856","0.004","9154","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H189 Cl13 N3 O1.5 P12 Ru3 -","- C200 H184 Cl13 N3 O1.5 P12 Ru3 -","- C400 H368 Cl26 N6 O3 P24 Ru6 -","2","1","","Hu, Quan Yuan; Lu, Wei Xin; Tang, Hong Ding; Sung, Herman H. Y.; Wen, Ting Bin; Williams, Ian D.; Wong, George K. L.; Lin, Zhenyang; Jia, Guochen","Synthesis and Photophysical Properties of Trimetallic Acetylide Complexes with a 1,3,5-Triazine Core","Organometallics","2005","24","16","3966","","10.1021/om0502133","","","0.71073","MoKα","","0.1604","0.0724","","","0.1497","0.1713","","","","","","0.988","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075859","16.9698","0.0018","19.859","0.002","9.5866","0.001","90","","90","","90","","3230.7","0.6","193","2","193","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C30 H25 F3 Ge N2 O8 S W -","- C30.8 H25 F3 Ge N2 O8 S W -","- C123.2 H100 F12 Ge4 N8 O32 S4 W4 -","4","0.5","","Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques","In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2","Organometallics","2005","24","12","2988","","10.1021/om050214v","","","0.71073","MoKα","","0.0282","0.0216","","","0.0507","0.0539","","","","","","1.07","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075860","13.9239","0.0009","9.7981","0.0007","14.1029","0.0009","90","","93.837","0.001","90","","1919.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 I2 In N2 -","- C17 H17 I2 In N2 -","- C68 H68 I8 In4 N8 -","4","1","","Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques","In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2","Organometallics","2005","24","12","2988","","10.1021/om050214v","","","0.71073","MoKα","","0.0244","0.0217","","","0.0546","0.0557","","","","","","1.066","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075861","10.4796","0.0014","9.5423","0.0012","19.334","0.003","90","","103.309","0.002","90","","1881.5","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl2 Ge2 N4 O4 W -","- C38 H34 Cl2 Ge2 N4 O4 W -","- C76 H68 Cl4 Ge4 N8 O8 W2 -","2","0.5","","Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques","In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2","Organometallics","2005","24","12","2988","","10.1021/om050214v","","","0.71073","MoKα","","0.0432","0.0275","","","0.0526","0.0567","","","","","","0.999","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075862","11.4867","0.001","17.2181","0.0015","21.581","0.002","90","","99.684","0.006","90","","4207.5","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 B10 N O3 P2 Re -","- C41 H42 B10 N O3 P2 Re -","- C164 H168 B40 N4 O12 P8 Re4 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0581","0.0341","","","0.0723","0.0787","","","","","","1.029","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075863","11.5244","0.0015","17.356","0.002","21.248","0.003","90","","99.847","0.006","90","","4187.4","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 B10 Mn N O3 P2 -","- C41 H42 B10 Mn N O3 P2 -","- C164 H168 B40 Mn4 N4 O12 P8 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0608","0.0398","","","0.0939","0.1017","","","","","","1.044","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075864","13.9958","0.001","21.935","0.0015","14.3679","0.001","90","","103.707","0.003","90","","4285.3","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 B10 N O3 P2 Re -","- C42 H44 B10 N O3 P2 Re -","- C168 H176 B40 N4 O12 P8 Re4 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0576","0.0351","","","0.0833","0.0901","","","","","","1.077","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075865","7.1474","0.0005","7.204","0.0005","14.5058","0.0009","86.494","0.004","86.862","0.003","67.238","0.003","687.05","0.08","110","2","110","2","","","","","","","","7","P 1","P 1","1","","","","- C4 H11 B10 Cl N O3 Re -","- C4 H11 B10 Cl N O3 Re -","- C8 H22 B20 Cl2 N2 O6 Re2 -","2","2","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0287","0.0257","","","0.0634","0.0639","","","","","","1.028","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075866","9.108","0.0004","13.0195","0.0005","13.6694","0.0005","64.507","0.002","83.966","0.002","71.187","0.002","1383.88","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H27 B10 Cu O3 P Re -","- C23 H27 B10 Cu O3 P Re -","- C46 H54 B20 Cu2 O6 P2 Re2 -","2","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0247","0.0204","","","0.0478","0.0485","","","","","","1.044","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075867","8.973","0.007","12.99","0.011","13.75","0.012","64.6","0.05","84.03","0.05","70.23","0.05","1361","2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H27 Au B10 O3 P Re -","- C23 H27 Au B10 O3 P Re -","- C46 H54 Au2 B20 O6 P2 Re2 -","2","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.033","0.0257","","","0.0635","0.0654","","","","","","1.078","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075868","9.9527","0.0009","20.7859","0.0019","19.0028","0.0018","90","","93.238","0.004","90","","3924.9","0.6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 B10 Cu2 P2 -","- C38 H42 B10 Cu2 P2 -","- C152 H168 B40 Cu8 P8 -","4","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the 13-Vertex Metallacarborane Anions [4,4,4-(CO)3-closo-4,1,6-MC2B10H12]-(M = Re, Mn)","Organometallics","2005","24","14","3386","","10.1021/om050226g","","","0.71073","MoKα","","0.0628","0.039","","","0.089","0.0971","","","","","","1.063","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075869","10.0075","0.0012","10.0075","0.0012","15.452","0.004","90","","90","","120","","1340.2","0.4","161","2","161","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C31 H48 U -","- C31 H48 U -","- C62 H96 U2 -","2","0.166667","","Evans, William J.; Kozimor, Stosh A.; Ziller, Joseph W.","Facile Triphenylborane-Based Syntheses of the Sterically Crowded Tris(pentamethylcyclopentadienyl) Complexes (C5Me5)3UMe and (C5Me5)3UCl","Organometallics","2005","24","14","3407","","10.1021/om050230s","","","0.71073","MoKα","","0.0451","0.0294","","","0.0603","0.0719","","","","","","1.263","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075870","9.299","0.002","13.881","0.004","16.137","0.004","69.988","0.005","83.06","0.005","74.169","0.005","1882.1","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H59 B O U -","- C44 H59 B O U -","- C88 H118 B2 O2 U2 -","2","1","","Evans, William J.; Kozimor, Stosh A.; Ziller, Joseph W.","Facile Triphenylborane-Based Syntheses of the Sterically Crowded Tris(pentamethylcyclopentadienyl) Complexes (C5Me5)3UMe and (C5Me5)3UCl","Organometallics","2005","24","14","3407","","10.1021/om050230s","","","0.71073","MoKα","","0.0913","0.0657","","","0.1646","0.1834","","","","","","1.045","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075871","29.717","0.01","11.72","0.003","6.498","0.002","90","","90","","90","","2263.1","1.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H23 P3 -","- C27 H23 P3 -","- C108 H92 P12 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0829","0.0366","","0.1009","0.085","","","","1.067","1.188","1.188","","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075872","13.044","0.002","10.5451","0.0016","9.0834","0.0014","90","","102.569","0.003","90","","1219.5","0.3","110","1","110","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl O2 P -","- C11 H16 Cl O2 P -","- C44 H64 Cl4 O8 P4 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0607","0.0504","","","0.1293","0.1397","","","","","","1.073","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075873","10.8977","0.0011","10.9949","0.0015","16.459","0.002","78.178","0.004","79.98","0.004","76.357","0.004","1859.4","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cl2 P2 Zr -","- C42 H56 Cl2 P2 Zr -","- C84 H112 Cl4 P4 Zr2 -","2","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0686","0.0468","","","0.0921","0.0982","","","","","","1.028","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4075874","8.5662","0.0016","20.264","0.004","11.765","0.002","90","","102.098","0.004","90","","1996.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl2 P Zr -","- C22 H21 Cl2 P Zr -","- C88 H84 Cl8 P4 Zr4 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0824","0.0573","","","0.1292","0.143","","","","","","0.887","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075875","10.1403","0.0018","11.598","0.002","21.762","0.004","90","","90","","90","","2559.4","0.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 P2 Zr -","- C26 H24 Cl2 P2 Zr -","- C104 H96 Cl8 P8 Zr4 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0937","0.0702","","","0.1692","0.1855","","","","","","1.012","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075876","12.1883","0.0007","13.0252","0.0008","22.5108","0.0013","74.456","0.001","88.66","0.001","65.427","0.001","3115.3","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H99 Si4 Y4 -","- C51 H99 Si4 Y4 -","- C102 H198 Si8 Y8 -","2","1","","Luo, Yi; Baldamus, Jens; Tardif, Olivier; Hou, Zhaomin","DFT Study of the Tetranuclear Lutetium and Yttrium Polyhydride Cluster Complexes [(C5Me4SiMe3)4Ln4H8] (Ln = Lu, Y) that Contain a Four-Coordinate Hydrogen Atom","Organometallics","2005","24","18","4362","","10.1021/om0502382","","","0.71073","MoKα","","0.0459","0.0329","","","0.081","0.0857","","","","","","1.033","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075877","12.854","0.002","18.717","0.003","20.397","0.004","90","","91.713","0.003","90","","4905.1","1.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H35 B F15 N P2 -","- C56 H35 B F15 N P2 -","- C224 H140 B4 F60 N4 P8 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1344","0.0488","","","0.0924","0.1082","","","","","","0.799","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075878","11.51","0.003","12.42","0.003","13.015","0.004","70.071","0.004","87.406","0.004","79.134","0.006","1717.4","0.8","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.5 H20 B Cl F15 P -","- C37.5 H19 B Cl F15 P -","- C75 H38 B2 Cl2 F30 P2 -","2","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.2019","0.0657","","","0.1146","0.1433","","","","","","0.809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075879","16","0.008","13.449","0.007","17.474","0.008","90","","90","","90","","3760","3","453","2","453","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H29 B F15 P -","- C42 H29 B F15 P -","- C168 H116 B4 F60 P4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1796","0.0373","","","0.0365","0.0494","","","","","","0.593","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075880","8.34","0.002","15.235","0.004","23.409","0.006","90","","90","","90","","2974.3","1.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 B F15 N -","- C31 H23 B F15 N -","- C124 H92 B4 F60 N4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1021","0.0431","","","0.0728","0.0836","","","","","","0.81","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075881","8.332","0.006","13.691","0.01","28.59","0.02","90","","90.57","0.013","90","","3261","4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 B F15 N -","- C36 H24.55 B F15 N -","- C144 H98.2 B4 F60 N4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1628","0.0634","","","0.1324","0.1571","","","","","","0.843","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075882","11.5484","0.0009","11.8609","0.0009","14.8731","0.0012","102.802","0.002","93.928","0.002","94.868","0.002","1971.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H49 Mo N5 Si2 -","- C39.5 H49 Mo N5 Si2 -","- C79 H98 Mo2 N10 Si4 -","2","1","","Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.","Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides","Organometallics","2005","24","26","6310","","10.1021/om0502436","","","0.71073","MoKα","","0.052","0.0349","","","0.0758","0.0788","","","","","","0.915","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075883","10.4614","0.0006","18.571","0.001","19.715","0.001","90","","90","","90","","3830.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H54 Mo N6 Si2 -","- C33 H54 Mo N6 Si2 -","- C132 H216 Mo4 N24 Si8 -","4","1","","Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.","Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides","Organometallics","2005","24","26","6310","","10.1021/om0502436","","","0.71073","MoKα","","0.1086","0.0483","","","0.0854","0.0992","","","","","","0.91","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075884","11.4653","0.0012","13.799","0.0014","20.264","0.002","90.006","0.002","100.229","0.002","112.571","0.002","2905.1","0.5","293","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H73 Mo N7 O Si2 -","- C54 H63 Mo N7 Si2 -","- C108 H126 Mo2 N14 Si4 -","2","1","","Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.","Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides","Organometallics","2005","24","26","6310","","10.1021/om0502436","","","0.71073","MoKα","","0.0868","0.0484","","","0.0981","0.1038","","","","","","0.814","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075885","7.1237","0.0004","11.3329","0.0006","17.3278","0.0009","90","","90","","90","","1398.91","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Fantauzzi, Simone; Gallo, Emma; Caselli, Alessandro; Ragaini, Fabio; Macchi, Piero; Casati, Nicola; Cenini, Sergio","Origin of the Deactivation in Styrene Aziridination by Aryl Azides, Catalyzed by Ruthenium Porphyrin Complexes. Structural Characterization of a Δ2-1,2,3-Triazoline RuII(TPP)CO Complex","Organometallics","2005","24","20","4710","","10.1021/om050244y","","","0.71073","MoKα","","0.0498","0.0405","","","0.1058","0.1115","","","","","","1.045","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075886","36.219","0.004","10.0641","0.0011","27.304","0.003","90","","98.732","0.004","90","","9837.3","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 N8 O3 Ru -","- C60 H42 N8 O3 Ru -","- C480 H336 N64 O24 Ru8 -","8","1","","Fantauzzi, Simone; Gallo, Emma; Caselli, Alessandro; Ragaini, Fabio; Macchi, Piero; Casati, Nicola; Cenini, Sergio","Origin of the Deactivation in Styrene Aziridination by Aryl Azides, Catalyzed by Ruthenium Porphyrin Complexes. Structural Characterization of a Δ2-1,2,3-Triazoline RuII(TPP)CO Complex","Organometallics","2005","24","20","4710","","10.1021/om050244y","","","0.71069","MoKα","","0.1076","0.0583","","","0.1455","0.1746","","","","","","1.111","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075887","11.498","0.002","28.649","0.005","14.131","0.002","90","","94.87","0.02","90","","4638","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis{(1,3-diethyl-4,5-dimethyl)imidazolylyliden}nitridotechnetium(V) dichloride'","","- C36 H64 Cl2 N9 Tc -","- C36 H64 Cl2 N9 Tc -","- C144 H256 Cl8 N36 Tc4 -","4","1","","Braband, Henrik; Abram, Ulrich","Nitridotechnetium(V) Complexes with N-Heterocyclic Carbenes and Unexpected (OSiMe2OSiMe2O)2-Coligands","Organometallics","2005","24","14","3362","","10.1021/om050245q","","","0.71073","MoKα","","0.1059","0.0588","","","0.1611","0.1984","","","","","","0.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075888","10.057","0.002","18.112","0.003","15.597","0.003","90","","95.44","0.01","90","","2828.2","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{(1,3-Diethyl-4,5-dimethyl)imidazolylyliden}- (1,1,3,3-tetramethyldisiloxane-1,3-diolato)nitridotechnetium(V)","","- C22 H44 N5 O3 Si2 Tc -","- C22 H44 N5 O3 Si2 Tc -","- C88 H176 N20 O12 Si8 Tc4 -","4","1","","Braband, Henrik; Abram, Ulrich","Nitridotechnetium(V) Complexes with N-Heterocyclic Carbenes and Unexpected (OSiMe2OSiMe2O)2-Coligands","Organometallics","2005","24","14","3362","","10.1021/om050245q","","","0.71073","MoKα","","0.036","0.0296","","","0.079","0.0842","","","","","","1.071","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075889","9.294","0.002","35.556","0.007","9.554","0.001","90","","115.4","0.01","90","","2852","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{(1,3-Diethyl-4,5-dimethyl)imidazolylyliden}(dimethyphenylphosphine)- (1,1,3,3-tetramethyldisiloxane-1,3-diolato)nitridotechnetium(V)","","- C21 H39 N3 O3 P Si2 Tc -","- C21 H39 N3 O3 P Si2 Tc -","- C84 H156 N12 O12 P4 Si8 Tc4 -","4","1","","Braband, Henrik; Abram, Ulrich","Nitridotechnetium(V) Complexes with N-Heterocyclic Carbenes and Unexpected (OSiMe2OSiMe2O)2-Coligands","Organometallics","2005","24","14","3362","","10.1021/om050245q","","","0.71073","MoKα","","0.1452","0.0602","","","0.1325","0.1997","","","","","","0.863","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075890","12.367","0.004","20.625","0.005","35.067","0.007","90","","91.24","0.02","90","","8942","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H52 Cl Mn2 O11 P3 Sn -","- C35.5 H52 Cl Mn2 O11 P3 Sn -","- C284 H416 Cl8 Mn16 O88 P24 Sn8 -","8","1","","Liu, Xiang-Yang; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio","Phosphonate−Stannylene Coupling in the Reactions of the Anion [Mn2{μ-OP(OEt)2}{μ-P(OEt)2}(CO)6]2-with SnR2Cl2(R = Bu, Ph)","Organometallics","2005","24","14","3527","","10.1021/om050250u","","","0.71073","MoKα","","0.1332","0.0669","","","0.181","0.2217","","","","","","1.153","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075891","10.0703","0.0006","18.1219","0.0011","18.3053","0.0011","90","","95.4228","0.0012","90","","3325.6","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Cl P2 Ru -","- C39 H45 Cl P2 Ru -","- C156 H180 Cl4 P8 Ru4 -","4","1","","Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa","Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment","Organometallics","2005","24","24","5817","","10.1021/om050259w","","","0.71073","MoKα","","0.0689","0.0478","","","0.1102","0.1188","","","","","","1.07","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075892","13.7599","0.0008","11.3513","0.0006","21.8632","0.0012","90","","107.716","0.001","90","","3252.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Cl P2 Ru -","- C39 H33 Cl P2 Ru -","- C156 H132 Cl4 P8 Ru4 -","4","1","","Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa","Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment","Organometallics","2005","24","24","5817","","10.1021/om050259w","","","0.71073","MoKα","","0.0535","0.0391","","","0.0998","0.106","","","","","","1.094","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075893","20.8844","0.0009","8.6214","0.0004","19.8587","0.0009","90","","112.129","0.0007","90","","3312.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 P2 Ru -","- C39 H46 P2 Ru -","- C156 H184 P8 Ru4 -","4","1","","Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa","Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment","Organometallics","2005","24","24","5817","","10.1021/om050259w","","","0.71073","MoKα","","0.0221","0.0208","","","0.0539","0.0555","","","","","","1.064","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075894","9.8422","0.0009","17.8223","0.0017","18.2126","0.0017","90","","103.079","0.0014","90","","3111.8","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 P2 Ru -","- C39 H34 P2 Ru -","- C156 H136 P8 Ru4 -","4","1","","Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa","Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment","Organometallics","2005","24","24","5817","","10.1021/om050259w","","","0.71073","MoKα","","0.0265","0.0229","","","0.0601","0.0626","","","","","","1.034","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075895","16.579","0.0016","9.777","0.001","42.188","0.002","90","","95.12","0.0006","90","","6811.1","1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-Disila(Dewar-benzene)","","","- C30 H62 Si4 -","- C30 H62 Si4 -","- C240 H496 Si32 -","8","2","","Nakata, Norio; Oikawa, Toru; Matsumoto, Takeshi; Kabe, Yoshio; Sekiguchi, Akira","Silyl-Substituted 1,4-Disila(Dewar benzene): New Synthesis and Unexpected Insertion of CO into the Si−Si Bond To Form a Disilyl Ketone","Organometallics","2005","24","14","3368","","10.1021/om050261n","","","0.7107","MoKα","","0.1012","0.0665","","","0.1689","0.1941","","","","","","1.02","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075896","8.857","0.0004","25.973","0.0009","15.844","0.0006","90","","104.607","0.0005","90","","3527","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Disilylketone","","","- C31 H62 O Si4 -","- C31 H62 O Si4 -","- C124 H248 O4 Si16 -","4","1","","Nakata, Norio; Oikawa, Toru; Matsumoto, Takeshi; Kabe, Yoshio; Sekiguchi, Akira","Silyl-Substituted 1,4-Disila(Dewar benzene): New Synthesis and Unexpected Insertion of CO into the Si−Si Bond To Form a Disilyl Ketone","Organometallics","2005","24","14","3368","","10.1021/om050261n","","","0.7107","MoKα","","0.0569","0.0436","","","0.1173","0.1254","","","","","","1.029","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075897","11.294","0.005","12.976","0.005","13.286","0.005","96.15","0.03","105.97","0.03","111.14","0.03","1699.1","1.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C58 H86 Al2 O4 S2 -","- C58 H86 Al2 O4 S2 -","- C58 H86 Al2 O4 S2 -","1","0.5","","Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof","Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity","Organometallics","2005","24","16","3987","","10.1021/om050271o","","x-ray","0.71073","MoKα","","0.1605","0.0644","","","0.059","0.0699","","","","","","1.187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075898","9.018","0.003","21.743","0.004","21.141","0.004","90","","90.3","0.02","90","","4145.2","1.8","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H130 Al2 O14 S2 Ti2 -","- C76 H130 Al2 O14 S2 Ti2 -","- C152 H260 Al4 O28 S4 Ti4 -","2","0.5","","Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof","Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity","Organometallics","2005","24","16","3987","","10.1021/om050271o","","x-ray","0.71073","MoKα","","0.1623","0.0737","","","0.0621","0.0712","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075899","15.478","0.004","22.14","0.005","23.719","0.005","90","","97.32","0.03","90","","8062","3","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 Cl6 O6 S2 Ti3 -","- C66 H104 Cl6 O6 S2 Ti3 -","- C264 H416 Cl24 O24 S8 Ti12 -","4","1","","Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof","Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity","Organometallics","2005","24","16","3987","","10.1021/om050271o","","x-ray","0.71073","MoKα","","0.152","0.0638","","","0.078","0.109","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075900","7.011","0.003","13.791","0.006","17.957","0.005","79.1","0.03","81.8","0.03","78.79","0.03","1662.3","1.1","100","","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C66 H106 O7 S2 Ti2 -","- C66 H106 O7 S2 Ti2 -","- C66 H106 O7 S2 Ti2 -","1","0.5","","Janas, Zofia; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Szczegot, Krzysztof","Homo- and Heterometallic Aluminum and Titanium Complexes of Tridentate (OSO) Ligand: Synthesis, Structure, and Catalytic Activity","Organometallics","2005","24","16","3987","","10.1021/om050271o","","x-ray","0.71073","MoKα","","0.1289","0.051","","","0.0467","0.0553","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075901","9.901","0.0002","6.929","0.0001","16.5575","0.0003","90","","90","","90","","1135.91","0.03","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H9 Au Br3 N -","- C5 H9 Au Br3 N -","- C20 H36 Au4 Br12 N4 -","4","0.5","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Attempted Oxidative Addition of Halogens to (Isocyanide)gold(I) Complexes§","Organometallics","2005","24","14","3547","","10.1021/om0502739","","","0.71073","MoKα","","0.0299","0.0277","","","0.0631","0.064","","","","","","1.16","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075902","9.3917","0.0002","14.2228","0.0003","18.0534","0.0003","90","","90","","90","","2411.51","0.08","143","2","143","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C14 H22 Au I5 N2 -","- C14 H22 Au I5 N2 -","- C56 H88 Au4 I20 N8 -","4","0.25","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Attempted Oxidative Addition of Halogens to (Isocyanide)gold(I) Complexes§","Organometallics","2005","24","14","3547","","10.1021/om0502739","","","0.71073","MoKα","","0.0225","0.0224","","","0.0526","0.0527","","","","","","1.282","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075903","16.1578","0.0006","6.5733","0.0003","19.8037","0.0009","90","","100.284","0.0017","90","","2069.57","0.15","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Au2 I4 N2 -","- C10 H18 Au2 I4 N2 -","- C40 H72 Au8 I16 N8 -","4","0.5","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Attempted Oxidative Addition of Halogens to (Isocyanide)gold(I) Complexes§","Organometallics","2005","24","14","3547","","10.1021/om0502739","","","0.71073","MoKα","","0.0373","0.0365","","","0.0969","0.0978","","","","","","1.162","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075904","10.783","0.002","7.306","0.001","13.147","0.002","90","","104.39","0.02","90","","1003.2","0.3","178.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis-[(4aR,8aR)-4a,8a-Dimethyl-1,4a,5,8a-tetrahydro-naphthalene-2,6-dione]-palladium(0)","","- C24 H28 O4 Pd -","- C24 H28 O4 Pd -","- C48 H56 O8 Pd2 -","2","1","","Grundl, Marc A.; Kennedy-Smith, Joshua J.; Trauner, Dirk","Rational Design of a Chiral Palladium(0) Olefin Complex of Unprecedented Stability","Organometallics","2005","24","12","2831","","10.1021/om050277d","","x-ray","0.7107","MoKα","","0.0508","0.0433","","0.0521","","0.0506","","","","","","1.74","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075905","20.5438","0.0004","9.0415","0.0002","38.2879","0.0007","90","","101.141","0.0009","90","","6977.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H57 N4 O12 P3 W3 -","- C75 H57 N4 O12 P3 W3 -","- C300 H228 N16 O48 P12 W12 -","4","1","","Yeh, Wen-Yann; Hsiao, Shu-Ching; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis of the N(CH2CH2NCH(o-C6H4)PPh2)3Ligand and Its Complexation with Tungsten Carbonyls To Form a 47-Membered Cryptand-Like Metallatricycle","Organometallics","2005","24","14","3365","","10.1021/om050281p","","","0.71073","MoKα","","0.1054","0.0528","","","0.1166","0.1587","","","","","","1.064","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075906","33.3154","0.0004","36.4677","0.0004","28.8983","0.0003","90","","124.343","0.0005","90","","28989","0.6","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C151.5 H158 Cl7 N8 O11.5 P6 W3 -","- C151.5 H155 Cl7 N8 O11.5 P6 W3 -","- C1212 H1240 Cl56 N64 O92 P48 W24 -","8","1","","Yeh, Wen-Yann; Hsiao, Shu-Ching; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis of the N(CH2CH2NCH(o-C6H4)PPh2)3Ligand and Its Complexation with Tungsten Carbonyls To Form a 47-Membered Cryptand-Like Metallatricycle","Organometallics","2005","24","14","3365","","10.1021/om050281p","","","0.71073","MoKα","","0.1202","0.0731","","","0.1898","0.2347","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075907","25.0077","0.0003","17.1191","0.0002","17.6639","0.0002","90","","118.088","0.001","90","","6671.46","0.15","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 B F4 Ni P2 -","- C39 H35 B F4 Ni P2 -","- C312 H280 B8 F32 Ni8 P16 -","8","1","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","1.54178","CuKα","","0.0628","0.0511","","","0.1463","0.1532","","","","","","1.071","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075908","9.1559","0.0001","10.4614","0.0002","15.5498","0.0002","90.512","0.001","106.265","0.001","113.833","0.001","1295.17","0.04","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C31 H28 Cl Ni P -","- C31 H28 Cl Ni P -","- C62 H56 Cl2 Ni2 P2 -","2","1","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","1.54178","CuKα","","0.0428","0.0388","","","0.1072","0.121","","","","","","1.12","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075909","28.763","0.009","10.667","0.01","19.103","0.011","90","","97.44","0.03","90","","5812","7","203","2","203","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl Ni P Si -","- C32 H32 Cl Ni P Si -","- C256 H256 Cl8 Ni8 P8 Si8 -","8","1","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","0.71073","MoKα","","0.1633","0.046","","","0.1252","0.1667","","","","","","0.802","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075910","15.9152","0.0002","32.7827","0.0003","16.5352","0.0002","90","","104.518","0.001","90","","8351.66","0.17","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 B Ni P -","- C55 H48 B Ni P -","- C440 H384 B8 Ni8 P8 -","8","2","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","1.54178","CuKα","","0.0623","0.0434","","","0.1126","0.1199","","","","","","0.958","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075911","10.3056","0.0007","16.2965","0.0011","33.568","0.002","90","","96.119","0.005","90","","5605.5","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H63 B Ni P2 -","- C73 H63 B Ni P2 -","- C292 H252 B4 Ni4 P8 -","4","1","","Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit","Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities","Organometallics","2005","24","16","4003","","10.1021/om050285u","","","1.54178","CuKα","","0.1059","0.0787","","","0.1966","0.2172","","","","","","0.998","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075912","8.3124","0.001","10.519","0.0007","26.0587","0.0018","90","","90","","90","","2278.5","0.4","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N Ta -","- C25 H38 N Ta -","- C100 H152 N4 Ta4 -","4","1","","Galakhov, Mikhail V.; Gómez, Manuel; Gómez-Sal, Pilar; Velasco, Patricia","Alkylation, Insertion of Isocyanides, and Intramolecular Rearrangement Processes in Azatantalacyclopentene Complexes. X-ray Crystal Structure of [TaCp*Me2(CHCHCMe2NAr-κ2C,N)] (Cp* = η5-C5Me5; Ar = 2,6-Me2C6H3)§","Organometallics","2005","24","14","3552","","10.1021/om050289z","","x-ray","0.71073","MoKα","","0.0454","0.0351","","","0.0644","0.067","","","","","","1.036","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075913","9.3288","0.001","10.7266","0.0008","12.8123","0.001","103.002","0.006","99.34","0.007","99.322","0.007","1206.09","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Ge O2 P Se2 -","- C22 H25 Ge O2 P Se2 -","- C44 H50 Ge2 O4 P2 Se4 -","2","1","","Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang","Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)","Organometallics","2005","24","16","4072","","10.1021/om050291q","","","0.71073","MoKα","","0.0555","0.0407","","","0.1028","0.1129","","","","","","1.029","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075914","9.498","0.0018","10.2047","0.0016","13.0089","0.0019","97.55","0.012","91.667","0.016","98.835","0.013","1233.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 O2 P Se2 Sn -","- C22 H25 O2 P Se2 Sn -","- C44 H50 O4 P2 Se4 Sn2 -","2","1","","Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang","Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)","Organometallics","2005","24","16","4072","","10.1021/om050291q","","","0.71073","MoKα","","0.0377","0.0325","","","0.0807","0.0842","","","","","","1.055","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075915","9.5653","0.0015","10.4242","0.0015","13.5634","0.0016","96.147","0.009","90.109","0.012","99.216","0.012","1327","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 O2 P Se2 Sn -","- C24 H29 O2 P Se2 Sn -","- C48 H58 O4 P2 Se4 Sn2 -","2","1","","Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang","Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)","Organometallics","2005","24","16","4072","","10.1021/om050291q","","","0.71073","MoKα","","0.0417","0.0365","","","0.0902","0.0937","","","","","","1.031","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075916","9.4973","0.0011","10.7536","0.0018","13.0308","0.0018","103.449","0.011","99.553","0.007","99.378","0.011","1247.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 O2 P Pb Se2 -","- C22 H25 O2 P Pb Se2 -","- C44 H50 O4 P2 Pb2 Se4 -","2","1","","Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang","Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)","Organometallics","2005","24","16","4072","","10.1021/om050291q","","","0.71073","MoKα","","0.0505","0.0429","","","0.106","0.1107","","","","","","1.045","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075917","10.955","0.002","17.776","0.003","17.809","0.003","88.888","0.004","88.098","0.005","85.405","0.005","3454.5","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H80 Cl2 Fe P4 Ru -","- C77 H80 Cl2 Fe P4 Ru -","- C154 H160 Cl4 Fe2 P8 Ru2 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.108","0.051","","0.062","","0.054","","","1.016","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075918","10.925","0.0007","17.892","0.001","17.678","0.001","89.292","0.002","88.455","0.002","85.264","0.002","3442.3","0.4","150","","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H84 Fe P4 Ru -","- C82 H84 Fe P4 Ru -","- C164 H168 Fe2 P8 Ru2 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.076","0.057","","0.14","","0.098","","","1.565","","","1.179","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075919","8.5154","0.0005","20.07","0.001","19.316","0.001","90","","90.503","0.002","90","","3301.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 F6 Fe P5 Ru -","- C76 H78 F6 Fe P5 Ru -","- C152 H156 F12 Fe2 P10 Ru2 -","2","0.5","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.055","0.038","","0.049","","0.046","","","1.066","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075920","12.246","0.002","15.975","0.003","17.889","0.003","80.484","0.003","86.577","0.003","76.503","0.003","3355.3","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C81.5 H75 Cl Fe P4 Ru -","- C81.5 H75 Cl Fe P4 Ru -","- C163 H150 Cl2 Fe2 P8 Ru2 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.103","0.059","","0.083","","0.07","","","0.961","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075921","13.241","0.002","14.279","0.002","20.629","0.003","102.33","0.002","91.366","0.002","111.702","0.002","3517.5","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H74 F6 Fe P5 Ru -","- C81 H74 F6 Fe P5 Ru -","- C162 H148 F12 Fe2 P10 Ru2 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71073","MoKα","","0.077","0.054","","0.087","","0.081","","","1.06","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075922","12.9851","0.0002","15.3597","0.0002","21.9668","0.0003","73.8673","0.0007","89.2884","0.0006","66.3856","0.0005","3831.85","0.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H82 Cl4 F12 Fe O P6 Ru -","- C78 H82 Cl4 F12 Fe1.17 O0.7 P6 Ru0.91 -","- C156 H164 Cl8 F24 Fe2.34 O1.4 P12 Ru1.82 -","2","1","","Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Ellis, Benjamin G.; Halet, Jean-François; Lapinte, Claude; Low, Paul J.; Smith, Mark E.; Skelton, Brian W.; Toupet, Loic; White, Allan H.","Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}]n+(n= 0, 1, 2)","Organometallics","2005","24","16","3864","","10.1021/om050293a","","","0.71069","MoKα","","0.074","0.0579","","","0.1452","0.1578","","","","","","1.049","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075923","36.005","0.001","9.883","0.001","17.784","0.001","90","","117.52","0.001","90","","5612.2","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Cl2 D12 N2 P2 Pd2 -","- C56 H86 Cl2 N2 P2 Pd2 -","- C224 H344 Cl8 N8 P8 Pd8 -","4","0.5","","Boubekeur, Leïla; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Coordination Chemistry of Inversely Polarized Phosphaalkenes toward Group 10 Metal Centers","Organometallics","2005","24","16","3856","","10.1021/om0502943","","","0.71069","MoKα","","0.0489","0.0334","","","0.0841","0.0912","","","","","","1.061","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075924","12.151","0.001","16.803","0.001","22.697","0.001","90","","100.89","0.001","90","","4550.7","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H39.5 Cl14.5 N2 P2 Pd2 -","- C27 H39 Cl13 N2 P2 Pd2 -","- C108 H156 Cl52 N8 P8 Pd8 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Coordination Chemistry of Inversely Polarized Phosphaalkenes toward Group 10 Metal Centers","Organometallics","2005","24","16","3856","","10.1021/om0502943","","","0.71069","MoKα","","0.0831","0.065","","","0.1856","0.197","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075925","37.9817","0.0012","14.6308","0.0004","36.1234","0.0012","90","","118.842","0.001","90","","17583.8","1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H68 Cl N2 O3 Yb -","- C43.25 H63.75 Cl N2 O3 Yb -","- C692 H1020 Cl16 N32 O48 Yb16 -","16","2","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0505","0.0425","","","0.0884","0.0921","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075926","38.036","0.003","14.6408","0.0007","36.156","0.003","90","","118.847","0.001","90","","17636","2","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H68 Cl Er N2 O3 -","- C43.25 H57.75 Cl Er N2 O3 -","- C692 H924 Cl16 Er16 N32 O48 -","16","2","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0503","0.0421","","","0.0941","0.0985","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075927","48.357","0.005","11.9624","0.0009","36.189","0.004","90","","130.326","0.001","90","","15960","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H65 N2 O3 Yb -","- C39 H65 N2 O3 Yb -","- C624 H1040 N32 O48 Yb16 -","16","2","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0443","0.0375","","","0.0808","0.0837","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075928","10.736","0.0006","22.4429","0.0013","19.8725","0.0012","90","","100.018","0.002","90","","4715.2","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 N3 O3 Yb -","- C50 H72 N3 O3 Yb -","- C200 H288 N12 O12 Yb4 -","4","1","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0512","0.0411","","","0.0842","0.089","","","","","","1.159","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075929","10.7883","0.0012","22.409","0.002","19.903","0.002","90","","100.151","0.003","90","","4736.3","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Er N3 O3 -","- C50 H72 Er N3 O3 -","- C200 H288 Er4 N12 O12 -","4","1","","Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak","Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone","Organometallics","2005","24","16","4014","","10.1021/om050296n","","","0.7107","MoKα","","0.0489","0.0386","","","0.0798","0.0851","","","","","","1.149","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075930","13.5022","0.0005","17.8881","0.0007","18.0399","0.0007","90","","94.795","0.001","90","","4341.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H76 Ir N2 P -","- C47 H76 Ir N2 P -","- C188 H304 Ir4 N8 P4 -","4","1","","Bernskoetter, Wesley H.; Lobkovsky, Emil; Chirik, Paul J.","C−H Bond Activation Reactions with Ligand Adducts of a β-Diiminate Iridium Dihydride","Organometallics","2005","24","18","4367","","10.1021/om050301n","","","0.71073","MoKα","","0.0741","0.0384","","","0.0716","0.0807","","","","","","1.023","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075931","12.0335","0.0013","18.933","0.002","32.952","0.004","90","","90.934","0.002","90","","7506.5","1.5","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Ir N2 P -","- C38 H62 Ir N2 P -","- C304 H496 Ir8 N16 P8 -","8","2","","Bernskoetter, Wesley H.; Lobkovsky, Emil; Chirik, Paul J.","C−H Bond Activation Reactions with Ligand Adducts of a β-Diiminate Iridium Dihydride","Organometallics","2005","24","18","4367","","10.1021/om050301n","","","0.71073","MoKα","","0.1075","0.0686","","","0.1397","0.1515","","","","","","1.112","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075932","12.3362","0.0005","14.3118","0.0006","19.2817","0.0008","90","","98.826","0.002","90","","3363.9","0.2","100","","100","","","","","","","","methylenechloride / pentane","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 Cl2 O P Ru -","- C36 H51 Cl2 O P Ru -","- C144 H204 Cl8 O4 P4 Ru4 -","4","1","","Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.","Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis","Organometallics","2005","24","16","4065","","10.1021/om050310w","","","0.71073","MoKα","","0.1077","0.0542","","","0.0961","0.1167","","","","","","1.083","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075933","20.718","0.0006","11.514","0.005","14.3789","0.0007","90","","99.93","","90","","3378.7","1.5","100","","100","","","","","","","","dichloromethane/pentane","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 N2 O Ru -","- C39 H44 Cl2 N2 O Ru -","- C156 H176 Cl8 N8 O4 Ru4 -","4","1","","Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.","Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis","Organometallics","2005","24","16","4065","","10.1021/om050310w","","","0.71073","MoKα","","0.2103","0.1029","","","0.2203","0.2835","","","","","","1.019","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075934","9.9547","0.0001","11.3765","0.0001","20.5889","0.0003","104.086","0.001","102.135","0.001","91.314","0.001","2204.28","0.05","100","","100","","","","","","","","diethylether","6","P -1","-P 1","2","","","","- C43 H61.5 Cl2 O5.25 P Ru -","- C43 H61.5 Cl2 O5.25 P Ru -","- C86 H123 Cl4 O10.5 P2 Ru2 -","2","1","","Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.","Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis","Organometallics","2005","24","16","4065","","10.1021/om050310w","","","0.71073","MoKα","","0.041","0.0334","","","0.0895","0.0936","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075935","15.66","0.0001","16.2793","0.0001","16.8111","0.0001","90","","114.2","","90","","3909.09","0.04","100","","100","","","","","","","","pentane/dichloromethane","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 Cl2 O P Ru -","- C44 H55 Cl2 O P Ru -","- C176 H220 Cl8 O4 P4 Ru4 -","4","1","","Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.","Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis","Organometallics","2005","24","16","4065","","10.1021/om050310w","","","0.71073","MoKα","","0.0284","0.026","","","0.0656","0.0672","","","","","","1.023","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075936","14.8754","0.0006","16.9565","0.0007","16.4576","0.0006","90","","92.887","0.001","90","","4145.9","0.3","138","2","138","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis adduct of 1,4 diphenylbutadiyne (3)","","","- C42 H42 Mo4 S8 -","- C42 H42 Mo4 S8 -","- C168 H168 Mo16 S32 -","4","1","","Newell, Rachel; Ohman, Claire; Rakowski DuBois, M.","Reactions of Sulfido-Bridged Molybdenum Dimers with Diynes as a Route to Multinuclear Dithiolene Complexes","Organometallics","2005","24","18","4406","","10.1021/om050317d","","","0.71073","MoKα","","0.078","0.0484","","","0.1147","0.1306","","","","","","0.997","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075937","17.5179","0.0013","11.9804","0.0009","25.3939","0.0019","90","","90","","90","","5329.5","0.7","293","2","258","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","mono adduct of 1,4 diphenylbutadiyne (5)","","","- C29 H26 Mo2 S4 -","- C29 H26 Mo2 S4 -","- C232 H208 Mo16 S32 -","8","1","","Newell, Rachel; Ohman, Claire; Rakowski DuBois, M.","Reactions of Sulfido-Bridged Molybdenum Dimers with Diynes as a Route to Multinuclear Dithiolene Complexes","Organometallics","2005","24","18","4406","","10.1021/om050317d","","","0.71073","MoKα","","0.1884","0.0802","","","0.1511","0.192","","","","","","0.951","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075938","10.4965","0.0005","15.1664","0.0006","18.0759","0.0008","76.501","0.001","78.356","0.001","80.059","0.001","2716.6","0.2","155","2","155","2","","","","","","","","6","P -1","-P 1","2","(3+)","","","- C46.71 H45.41 F6 Mo4 O6.9 S10 -","- C46.706 H45.412 F6 Mo4 O6.902 S10 -","- C93.412 H90.824 F12 Mo8 O13.804 S20 -","2","1","","Newell, Rachel; Ohman, Claire; Rakowski DuBois, M.","Reactions of Sulfido-Bridged Molybdenum Dimers with Diynes as a Route to Multinuclear Dithiolene Complexes","Organometallics","2005","24","18","4406","","10.1021/om050317d","","","0.71073","MoKα","","0.1603","0.0736","","","0.1565","0.1934","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075939","17.354","0.002","18.293","0.003","11.311","0.002","90","","106.663","0.007","90","","3440","0.9","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C37 H53 N Ru3 -","- C37 H38 N Ru3 -","- C148 H152 N4 Ru12 -","4","0.5","","Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu","Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand","Organometallics","2005","24","14","3371","","10.1021/om050320x","","","0.71069","MoKα","","0.0405","0.0381","","","0.0992","0.1006","","","","","","1.053","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075940","18.2198","0.0001","17.9121","0.0001","21.1707","0.0001","90","","90","","90","","6909.16","0.06","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C35 H57 N Ru3 -","- C35 H7 N2 Ru3 -","- C280 H56 N16 Ru24 -","8","","","Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu","Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand","Organometallics","2005","24","14","3371","","10.1021/om050320x","","","0.71069","MoKα","","0.0596","0.057","","","0.1262","0.1273","","","","","","1.223","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075941","10.8217","0.001","19.8704","0.0016","20.0472","0.0018","116.505","0.004","102.326","0.004","89.202","0.004","3752.4","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H54 B F4 N Ru3 -","- C37 H54 B F4 N Ru3 -","- C148 H216 B4 F16 N4 Ru12 -","4","2","","Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu","Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand","Organometallics","2005","24","14","3371","","10.1021/om050320x","","","0.71069","MoKα","","0.072","0.0452","","","0.0923","0.1024","","","","","","1.027","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075942","8.577","0.002","8.599","0.0019","17.598","0.004","97.626","0.006","98.156","0.006","115.882","0.007","1128","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,1,2,2-tetramethyl-1,2-bis[(2,6-dimethylbenzoyl)oxy]disilane","","- C22 H30 O4 Si2 -","- C22 H30 O4 Si2 -","- C44 H60 O8 Si4 -","2","1","","Kano, Naokazu; Nakagawa, Norikiyo; Shinozaki, Yasuhiro; Kawashima, Takayuki; Sato, Yuki; Naruse, Yuji; Inagaki, Satoshi","Disilanes Containing Two High-Coordinate Silicon Atoms Bridged by Carboxylate Ligands: Synthesis, Structure, and Dynamic Behavior","Organometallics","2005","24","12","2823","","10.1021/om050321p","","","0.7107","MoKα","","0.048","0.0395","","","0.0948","0.1013","","","","","","1.098","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075943","13.236","0.005","10.745","0.005","14.515","0.005","90","","104.961","0.005","90","","1994.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-dimethyl-1,1,2,2-tetrakis[(2,6-dimethylbenzoyl)oxy]disilane","","- C44 H48 O8 Si2 -","- C44 H48 O8 Si2 -","- C88 H96 O16 Si4 -","2","0.5","","Kano, Naokazu; Nakagawa, Norikiyo; Shinozaki, Yasuhiro; Kawashima, Takayuki; Sato, Yuki; Naruse, Yuji; Inagaki, Satoshi","Disilanes Containing Two High-Coordinate Silicon Atoms Bridged by Carboxylate Ligands: Synthesis, Structure, and Dynamic Behavior","Organometallics","2005","24","12","2823","","10.1021/om050321p","","","0.71069","MoKα","","0.0599","0.0438","","","0.0743","0.0805","","","","","","0.899","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075944","18.3537","0.0006","23.3319","0.0008","23.5876","0.0012","90","","90","","90","","10100.8","0.7","133","2","133","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H68 Ag B F4 N4 -","- C54 H68 Ag B F4 N4 -","- C432 H544 Ag8 B8 F32 N32 -","8","1","","Weigl, Kerstin; Köhler, Katrin; Dechert, Sebastian; Meyer, Franc","Synthesis and Structure of N-Heterocyclic Carbene Complexes with Tethered Olefinic Groups: Application of the Ruthenium Catalyst in Olefin Metathesis","Organometallics","2005","24","16","4049","","10.1021/om0503242","","","0.71073","MoKα","","0.0743","0.0476","","","0.1347","0.1468","","","","","","1.004","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075945","8.4002","0.0011","16.1489","0.0013","19.953","0.002","90","","100.859","0.009","90","","2658.2","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Ag Cl N2 -","- C27 H34 Ag Cl N2 -","- C108 H136 Ag4 Cl4 N8 -","4","0.5","","Weigl, Kerstin; Köhler, Katrin; Dechert, Sebastian; Meyer, Franc","Synthesis and Structure of N-Heterocyclic Carbene Complexes with Tethered Olefinic Groups: Application of the Ruthenium Catalyst in Olefin Metathesis","Organometallics","2005","24","16","4049","","10.1021/om0503242","","","0.71073","MoKα","","0.0606","0.0497","","","0.1348","0.1419","","","","","","1.034","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075946","9.1068","0.0007","11.639","0.0009","15.9346","0.0012","89.87","0.006","79.381","0.006","74.296","0.006","1596.1","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 Cl2 N2 O Ru -","- C35 H42 Cl2 N2 O Ru -","- C70 H84 Cl4 N4 O2 Ru2 -","2","1","","Weigl, Kerstin; Köhler, Katrin; Dechert, Sebastian; Meyer, Franc","Synthesis and Structure of N-Heterocyclic Carbene Complexes with Tethered Olefinic Groups: Application of the Ruthenium Catalyst in Olefin Metathesis","Organometallics","2005","24","16","4049","","10.1021/om0503242","","","0.71073","MoKα","","0.0526","0.0412","","","0.1055","0.1103","","","","","","1.034","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075947","22.344","0.002","12.843","0.0014","22.869","0.002","90","","111.36","0.006","90","","6111.8","1","120","","120","","","","","","","","","6","C 1 c 1","C -2yc","9","(2,2,3,3-tetramethyl-1,1,4,4-tetraphenyl- 2,3-disilatetragerman-1,4-diyl)bis (triphenylphosphine)platinum","(2,2,3,3-tetramethyl-1,1,4,4-tetraphenyl- 2,3-disilatetragerman-1,4-diyl)bis (triphenylphosphine)platinum","","- C70 H67 Ge2 P2 Pt Si2 -","- C70 H68 Ge2 P2 Pt Si2 -","- C280 H272 Ge8 P8 Pt4 Si8 -","4","1","","Usui, Yoko; Hosotani, Sayaka; Ogawa, Aki; Nanjo, Masato; Mochida, Kunio","Successive Formation of Hydrido(germyl)platinum, Germaplatinacycle, and Germylene-Bridged Dinuclear Platinum Complexes from the Reaction of a Zerovalent Platinum Complex with α,ω-Dihydrodigermanes","Organometallics","2005","24","18","4337","","10.1021/om0503287","","","0.71073","MoKα","","0.0419","0.0393","","","0.1124","0.1148","","","","","","1.051","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075948","7.732","0.001","18.38","0.001","33.917","0.001","90","","90","","90","","4820.1","0.7","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl P Zr -","- C28 H26 Cl P Zr -","- C224 H208 Cl8 P8 Zr8 -","8","1","","Spies, Patrick; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Grimme, Stefan; Mück-Lichtenfeld, Christian","Reaction of Rosenthal's Zirconacyclocumulenes with Chlorophosphines","Organometallics","2005","24","20","4742","","10.1021/om050336n","","","0.71073","MoKα","","0.056","0.0349","","","0.0761","0.083","","","","","","1.016","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075949","9.259","0.001","20.346","0.001","14.921","0.001","90","","99.86","0.01","90","","2769.4","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Cl2 P Zr -","- C32 H25 Cl2 P Zr -","- C128 H100 Cl8 P4 Zr4 -","4","1","","Spies, Patrick; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Grimme, Stefan; Mück-Lichtenfeld, Christian","Reaction of Rosenthal's Zirconacyclocumulenes with Chlorophosphines","Organometallics","2005","24","20","4742","","10.1021/om050336n","","","0.71073","MoKα","","0.1079","0.0604","","","0.0795","0.0887","","","","","","1.045","","","","has coordinates","178648","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",""
"4075951","19.827","0.009","13.692","0.006","11.835","0.006","90","","97.041","0.01","90","","3189","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O4 Pt -","- C36 H28 N4 O4 Pt -","- C144 H112 N16 O16 Pt4 -","4","1","","Wong, Wai-Yeung; He, Ze; So, Shu-Kong; Tong, Ka-Lap; Lin, Zhenyang","A Multifunctional Platinum-Based Triplet Emitter for OLED Applications#","Organometallics","2005","24","16","4079","4082","10.1021/om050343b","","","0.71073","MoKα","","0.1308","0.0603","","","0.1329","0.1651","","","","","","0.925","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075952","18.668","0.003","10.3756","0.0009","14.786","0.002","90","","113.3","0.014","90","","2630.4","0.7","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 F2 N P2 -","- C25 H37 F2 N P2 -","- C100 H148 F8 N4 P8 -","4","1","","Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.","Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium","Organometallics","2005","24","14","3487","","10.1021/om050346o","","","1.54178","CuKα","","0.0694","0.0461","","0.0948","0.0584","0.0584","","","","","","1.1019","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075953","16.651","0.003","8.2918","0.0012","20.935","0.003","90","","90.269","0.012","90","","2890.4","0.8","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br2 N P2 -","- C27 H39 Br2 N P2 -","- C108 H156 Br8 N4 P8 -","4","1","","Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.","Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium","Organometallics","2005","24","14","3487","","10.1021/om050346o","","","1.54178","CuKα","","0.09","0.0533","","0.1386","0.0701","0.0701","","","","","","1.043","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075954","12.668","0.009","10.292","0.003","20.922","0.004","90","","100.06","0.03","90","","2686","2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl N P2 Pd -","- C26 H38 Cl N P2 Pd -","- C104 H152 Cl4 N4 P8 Pd4 -","4","1","","Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.","Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium","Organometallics","2005","24","14","3487","","10.1021/om050346o","","","0.71073","MoKα","","0.1125","0.0447","","0.108","0.0466","0.0466","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075955","10.501","0.004","20.068","0.01","13.422","0.01","90","","94.18","0.04","90","","2821","3","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Cl Ir N P2 -","- C27 H42 Cl Ir N P2 -","- C108 H168 Cl4 Ir4 N4 P8 -","4","1","","Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.","Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium","Organometallics","2005","24","14","3487","","10.1021/om050346o","","","0.71073","MoKα","","0.1052","0.0459","","0.0921","0.0489","0.0489","","","","","","1.1346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075956","16.4206","0.0009","19.2472","0.0009","22.0247","0.0011","90","","105.54","0.002","90","","6706.5","0.6","93.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H77 Cl7 P Rh -","- C76.42 H75 Cl3.37 P Rh -","- C305.68 H300 Cl13.48 P4 Rh4 -","4","1","","Niyomura, Osamu; Iwasawa, Tetsuo; Sawada, Naoki; Tokunaga, Makoto; Obora, Yasushi; Tsuji, Yasushi","A Bowl-Shaped Phosphine as a Ligand in Rhodium-Catalyzed Hydrosilylation: Rate Enhancement by a Mono(phosphine) Rhodium Species","Organometallics","2005","24","14","3468","","10.1021/om0503491","","","0.7107","MoKα","","","0.067","","","","0.096","","","","","","0.836","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075957","23.587","0.005","16.031","0.003","26.653","0.005","90","","104.843","0.004","90","","9742","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C47 H50 Cl4 F3 N2 O3 P3 Ru S -","- C47 H49 Cl4 F3 N2 O3 P3 Ru S -","- C376 H392 Cl32 F24 N16 O24 P24 Ru8 S8 -","8","2","","Chen, Xingguo; Xue, Peng; Sung, Herman H. Y.; Williams, Ian D.; Peruzzini, Maurizio; Bianchini, Claudio; Jia, Guochen","Ruthenium-PromotedZ-Selective Head-to-Head Dimerization of Terminal Alkynes in Organic and Aqueous Media","Organometallics","2005","24","18","4330","","10.1021/om050355x","","","0.71073","MoKα","","0.1052","0.0543","","","0.1145","0.1271","","","","","","0.984","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075958","17.443","0.003","20.752","0.004","23.465","0.005","90","","90","","90","","8494","3","180","2","180","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H83 N P2 Ru Si2 -","- C40 H83 N P2 Ru Si2 -","- C320 H664 N8 P16 Ru8 Si16 -","8","1","","Ayed, Tahra; Barthelat, Jean-Claude; Tangour, Bahoueddine; Pradère, Caroline; Donnadieu, Bruno; Grellier, Mary; Sabo-Etienne, Sylviane","Structure and Bonding in a Disilazane Ruthenium Complex. Catalytic Selective Deuteration of Disilazane","Organometallics","2005","24","16","3824","","10.1021/om050361t","","","0.71073","MoKα","","0.0673","0.0387","","","0.0575","0.0632","","","","","","0.863","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075959","23.281","0.005","21.627","0.004","42.693","0.009","90","","91.52","0.03","90","","21488","8","293","2","293","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C187 H138 Ag13 Au6 Cl0 F30 N0 O P6 Sb5 -","- C187 Ag13 Au6 F30 O P6 Sb5 -","- C748 Ag52 Au24 F120 O4 P24 Sb20 -","4","1","","Wei, Qiao-Hua; Zhang, Li-Yi; Yin, Gang-Qiang; Shi, Lin-Xi; Chen, Zhong-Ning","Luminescent Au6Ag13Cage Compounds of Arylacetylides, Metastable Intermediates to Au5Ag8Complexes of {1,2,3-C6(C6H4R-4)3}3-(R = H, CH3, But)","Organometallics","2005","24","16","3818","","10.1021/om050363d","","","0.8","MoKα","","0.1104","0.0892","","","0.2638","0.2785","","","","","","1.181","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075960","25.14","0.004","25.14","0.004","59.228","0.012","90","","90","","120","","32418","10","293","2","293","2","","","","","","","","10","R -3 :H","-R 3","148","","","","- C67 H56.67 Ag4.33 Au2 Cl0 F10 N0 O P2 Sb1.67 -","- C66.9733 Ag4.33333 Au2 F10.04 O P2 Sb1.67333 -","- C1205.52 Ag78 Au36 F180.72 O18 P36 Sb30.12 -","18","1","","Wei, Qiao-Hua; Zhang, Li-Yi; Yin, Gang-Qiang; Shi, Lin-Xi; Chen, Zhong-Ning","Luminescent Au6Ag13Cage Compounds of Arylacetylides, Metastable Intermediates to Au5Ag8Complexes of {1,2,3-C6(C6H4R-4)3}3-(R = H, CH3, But)","Organometallics","2005","24","16","3818","","10.1021/om050363d","","","0.8","MoKα","","0.1232","0.0975","","","0.3007","0.3291","","","","","","1.083","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075961","25.9385","0.0003","24.385","0.0004","33.3375","0.0002","90","","107.771","0.001","90","","20080.2","0.4","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C190 H158 Ag8 Au5 Cl0 F18 N0 O0 P11 -","- C190 H158 Ag8 Au5 F18 P11 -","- C760 H632 Ag32 Au20 F72 P44 -","4","1","","Wei, Qiao-Hua; Zhang, Li-Yi; Yin, Gang-Qiang; Shi, Lin-Xi; Chen, Zhong-Ning","Luminescent Au6Ag13Cage Compounds of Arylacetylides, Metastable Intermediates to Au5Ag8Complexes of {1,2,3-C6(C6H4R-4)3}3-(R = H, CH3, But)","Organometallics","2005","24","16","3818","","10.1021/om050363d","","","0.71073","MoKα","","0.1875","0.0921","","","0.208","0.2989","","","","","","1.23","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075962","5.8459","0.0001","8.413","0.0002","18.2492","0.0005","90","","90","","90","","897.52","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(C6H5)HgCCCF3","","- C9 H5 F3 Hg -","- C9 H5 F3 Hg -","- C36 H20 F12 Hg4 -","4","1","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.","Asymmetric Fluoro-alkynyl Mercurials: The Synthesis and Solid State Structures of RHgC⋮CCF3(R = Ph, Fc)","Organometallics","2005","24","22","5487","","10.1021/om050366q","","x-ray","0.71073","MoKα","","0.0492","0.0443","","","0.1059","0.1096","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075963","16.0728","0.0006","9.7449","0.0003","8.1183","0.0003","90","","100.862","0.001","90","","1248.77","0.08","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","[(C5H5)Fe(C5H4HgCCCF3)]","","- C13 H9 F3 Fe Hg -","- C13 H9 F3 Fe Hg -","- C52 H36 F12 Fe4 Hg4 -","4","1","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.","Asymmetric Fluoro-alkynyl Mercurials: The Synthesis and Solid State Structures of RHgC⋮CCF3(R = Ph, Fc)","Organometallics","2005","24","22","5487","","10.1021/om050366q","","x-ray","0.71073","MoKα","","0.0422","0.0366","","","0.0886","0.0924","","","","","","1.054","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075964","16.063","0.004","19.355","0.005","35.056","0.009","90","","91.478","0.008","90","","10895","5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C119.5 H167 Mo N4 -","- C119.5 H167 Mo N4 -","- C478 H668 Mo4 N16 -","4","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.1217","0.0668","","","0.1584","0.1858","","","","","","1.027","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075965","16.1387","0.0007","19.6879","0.001","34.1544","0.0017","90","","93.147","0.002","90","","10835.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C119.5 H171.5 Mo N4 -","- C119.5 H171.5 Mo N4 -","- C478 H686 Mo4 N16 -","4","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.0778","0.0473","","","0.1061","0.1191","","","","","","1.034","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075966","43.616","0.003","43.616","0.003","24.703","0.003","90","","90","","120","","40698","6","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C122.75 H173.5 Mo N4 -","- C122.75 H173.5 Mo N4 -","- C1473 H2082 Mo12 N48 -","12","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.1382","0.1178","","","0.3227","0.33","","","","","","2.411","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075967","51.612","0.003","19.3084","0.001","32.2092","0.0017","90","","111.507","0.002","90","","29863","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C153 H186.5 B F24 Mo N4 -","- C153 H186.5 B F24 Mo N4 -","- C1224 H1492 B8 F192 Mo8 N32 -","8","1","","Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter","Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-","Organometallics","2005","24","18","4437","","10.1021/om050373e","","","0.71073","MoKα","","0.1216","0.0849","","","0.2135","0.2594","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075968","9.6788","0.0012","10.4164","0.0014","11.5639","0.0015","100.764","0.003","90.929","0.003","100.978","0.003","1122.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 N O9 Os3 -","- C20 H11 N O9 Os3 -","- C40 H22 N2 O18 Os6 -","2","1","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.027","0.0243","","","0.0578","0.0589","","","","","","1.035","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075969","9.487","0.002","10.269","0.003","11.79","0.003","98.686","0.007","90.684","0.009","99.636","0.007","1118.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 N2 O9 Os3 -","- C19 H10 N2 O9 Os3 -","- C38 H20 N4 O18 Os6 -","2","1","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.0292","0.0265","","","0.0674","0.0688","","","","","","1.024","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075970","11.2089","0.0004","12.7527","0.0005","15.4816","0.0007","85.582","0.002","89.192","0.002","84.136","0.002","2194.83","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H7 N2 O9 Os3 -","- C18 H7 N2 O9 Os3 -","- C72 H28 N8 O36 Os12 -","4","2","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.075","0.0566","","","0.1362","0.1479","","","","","","1.014","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075971","15.731","0.004","8.9","0.002","16.263","0.003","90","","100.16","0.02","90","","2241.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H9 N O9 Os3 -","- C20 H9 N O9 Os3 -","- C80 H36 N4 O36 Os12 -","4","1","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.0445","0.0331","","","0.0848","0.0866","","","","","","0.961","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075972","12.4821","0.0002","12.4363","0.0002","16.2496","0.0002","90","","104.079","0.001","90","","2446.67","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H7 N O11 Os4 -","- C21 H6 N O11 Os4 -","- C84 H24 N4 O44 Os16 -","4","1","","Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.","Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution","Organometallics","2005","24","20","4747","","10.1021/om0503794","","","0.71073","MoKα","","0.0449","0.0302","","","0.072","0.0842","","","","","","1.096","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075973","22.1954","0.0006","22.1954","0.0006","6.4285","0.0002","90","","90","","120","","2742.62","0.14","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","trimethylindium - rhombohedral form","","- C3 H9 In -","- C3 H9 In -","- C54 H162 In18 -","18","1","","Lewiński, Janusz; Zachara, Janusz; Starowieyski, Kazimierz B.; Justyniak, Iwona; Lipkowski, Janusz; Bury, Wojciech; Kruk, Przemysław; Woźniak, Robert","A Second Polymorphic Form of Trimethylindium: Topology of Supramolecular Architectures of Group 13 Trimethyls","Organometallics","2005","24","20","4832","","10.1021/om050386s","","","0.71073","MoKα","","0.0245","0.0235","","","0.0564","0.0568","","","","","","1.197","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075974","13.0454","0.0002","13.0454","0.0002","6.2778","0.0001","90","","90","","90","","1068.37","0.03","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","Trimethylindum","","- C3 H9 In -","- C3 H9 In -","- C24 H72 In8 -","8","1","","Lewiński, Janusz; Zachara, Janusz; Starowieyski, Kazimierz B.; Justyniak, Iwona; Lipkowski, Janusz; Bury, Wojciech; Kruk, Przemysław; Woźniak, Robert","A Second Polymorphic Form of Trimethylindium: Topology of Supramolecular Architectures of Group 13 Trimethyls","Organometallics","2005","24","20","4832","","10.1021/om050386s","","","0.71073","MoKα","","0.0316","0.0299","","","0.0718","0.0725","","","","","","1.301","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075975","30.205","0.005","11.0645","0.0019","23.91","0.004","90","","113.694","0.003","90","","7317","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H18 Ag B F20 -","- C42 H18 Ag B F20 -","- C336 H144 Ag8 B8 F160 -","8","1","","Ogawa, Kohei; Kitagawa, Toshikazu; Ishida, Shintaro; Komatsu, Koichi","Synthesis and Structure of a New Tetrakis(pentafluorophenyl)borate Salt of the Silver(I) Cation with Novel Trigonal Planar Tris(benzene) Coordination","Organometallics","2005","24","20","4842","","10.1021/om050388c","","","0.71073","MoKα","","0.0918","0.0714","","","0.1324","0.1429","","","","","","1.031","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075976","8.0192","0.0004","13.0108","0.0007","26.3067","0.0014","90","","98.026","0.001","90","","2717.9","0.2","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 B F3 N9 O4 Re S -","- C21 H25 B F3 N9 O4 Re S -","- C84 H100 B4 F12 N36 O16 Re4 S4 -","4","1","","Myers, William H.; Welch, Kevin D.; Graham, Peter M.; Keller, Andrew; Sabat, Michal; Trindle, Carl O.; Harman, W. Dean","Tungsten(0) and Rhenium(I)η2-Pyrrole Complexes: Dearomatization of Pyrroles and Their Facile Isomerizations, Protonations, and Reductions","Organometallics","2005","24","22","5267","","10.1021/om050393g","","","0.71073","MoKα","","0.0492","0.0376","","","0.0978","0.1015","","","","","","0.985","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075977","10.6754","0.0005","10.7143","0.0005","13.5012","0.0007","76.867","0.001","78.356","0.001","72.281","0.001","1417.8","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 B N10 O Re -","- C26 H34 B N10 O Re -","- C52 H68 B2 N20 O2 Re2 -","2","1","","Myers, William H.; Welch, Kevin D.; Graham, Peter M.; Keller, Andrew; Sabat, Michal; Trindle, Carl O.; Harman, W. Dean","Tungsten(0) and Rhenium(I)η2-Pyrrole Complexes: Dearomatization of Pyrroles and Their Facile Isomerizations, Protonations, and Reductions","Organometallics","2005","24","22","5267","","10.1021/om050393g","","","0.71073","MoKα","","0.0465","0.0418","","","0.1003","0.1021","","","","","","1.017","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075978","12.5925","0.0016","8.6493","0.0011","26.535","0.004","90","","95.873","0.003","90","","2874.9","0.7","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 B F3 N8 O4 P S W -","- C20 H31 B F3 N8 O4 P S W -","- C80 H124 B4 F12 N32 O16 P4 S4 W4 -","4","1","","Myers, William H.; Welch, Kevin D.; Graham, Peter M.; Keller, Andrew; Sabat, Michal; Trindle, Carl O.; Harman, W. Dean","Tungsten(0) and Rhenium(I)η2-Pyrrole Complexes: Dearomatization of Pyrroles and Their Facile Isomerizations, Protonations, and Reductions","Organometallics","2005","24","22","5267","","10.1021/om050393g","","","0.71073","MoKα","","0.1018","0.082","","","0.178","0.1832","","","","","","1.294","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075979","9.046","0.0002","10.0441","0.0002","11.8243","0.0003","84.7182","0.001","89.2236","0.001","87.5315","0.001","1068.74","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Cl2 Ga N Si3 -","- C14 H28 Cl2 Ga N Si3 -","- C28 H56 Cl4 Ga2 N2 Si6 -","2","1","","Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens","Synthesis and Characterization of Heavier Group 13 Element Ferrocenophanes: The First Gallium-Bridged [1]Ferrocenophane and an Unusual Indium Species","Organometallics","2005","24","18","4483","","10.1021/om0503951","","","0.71073","MoKα","","0.0587","0.0373","","","0.0793","0.0888","","","","","","1.03","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075980","9.2181","0.0002","24.3893","0.0005","12.5633","0.0003","90","","131.629","0.001","90","","2111.22","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 Cl4 In2 N2 Si6 -","- C28 H56 Cl4 In2 N2 Si6 -","- C56 H112 Cl8 In4 N4 Si12 -","2","0.5","","Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens","Synthesis and Characterization of Heavier Group 13 Element Ferrocenophanes: The First Gallium-Bridged [1]Ferrocenophane and an Unusual Indium Species","Organometallics","2005","24","18","4483","","10.1021/om0503951","","","0.71073","MoKα","","0.0481","0.0334","","","0.0653","0.0709","","","","","","1.061","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075981","14.1309","0.0009","14.7231","0.0011","16.135","0.002","72.624","0.004","77.96","0.006","87.868","0.004","3132.1","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H84 Cl2 Fe In2 N2 Si6 -","- C55.5 H84 Cl2 Fe In2 N2 Si6 -","- C111 H168 Cl4 Fe2 In4 N4 Si12 -","2","1","","Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens","Synthesis and Characterization of Heavier Group 13 Element Ferrocenophanes: The First Gallium-Bridged [1]Ferrocenophane and an Unusual Indium Species","Organometallics","2005","24","18","4483","","10.1021/om0503951","","","0.71073","MoKα","","0.0882","0.0595","","","0.103","0.1114","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075982","7.509","0.003","15.702","0.004","18.335","0.002","90","","91.38","0.02","90","","2161.2","1.1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 Os Ru -","- C21 H35 Os0.995 Ru0.995 -","- C84 H140 Os3.98 Ru3.98 -","4","1","","Shima, Takanori; Suzuki, Hiroharu","Heterobimetallic Polyhydride Complex, Cp*Ru(μ-H)4OsCp* (Cp* = η5-C5Me5). Synthesis and Reaction with Ethylene","Organometallics","2005","24","16","3939","","10.1021/om0503996","","","0.71069","MoKα","","0.0431","0.028","","","0.0731","0.0781","","","","","","1.054","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075983","8.373","0.0015","14.2672","0.0016","10.5483","0.0017","99.031","0.007","107.843","0.004","84.931","0.005","1183.5","0.3","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H40 Os Ru -","- C26 H30 Os Ru -","- C52 H60 Os2 Ru2 -","2","1","","Shima, Takanori; Suzuki, Hiroharu","Heterobimetallic Polyhydride Complex, Cp*Ru(μ-H)4OsCp* (Cp* = η5-C5Me5). Synthesis and Reaction with Ethylene","Organometallics","2005","24","16","3939","","10.1021/om0503996","","","0.71069","MoKα","","0.0625","0.062","","","0.1577","0.158","","","","","","1.165","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075984","6.8764","0.0006","8.6346","0.0006","10.6228","0.0015","102.12","0.006","104.308","0.005","108.693","0.003","549.44","0.1","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 Os Ru -","- C24 H30 Os Ru -","- C24 H30 Os Ru -","1","0.5","","Shima, Takanori; Suzuki, Hiroharu","Heterobimetallic Polyhydride Complex, Cp*Ru(μ-H)4OsCp* (Cp* = η5-C5Me5). Synthesis and Reaction with Ethylene","Organometallics","2005","24","16","3939","","10.1021/om0503996","","","0.71069","MoKα","","0.0234","0.0226","","","0.0548","0.0552","","","","","","1.163","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075985","10.117","0.005","8.542","0.004","12.384","0.005","90","","108.73","0.03","90","","1013.5","0.8","233","2","233","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H34 Os2 -","- C20 H34 Os2 -","- C40 H68 Os4 -","2","0.5","","Shima, Takanori; Suzuki, Hiroharu","Heterobimetallic Polyhydride Complex, Cp*Ru(μ-H)4OsCp* (Cp* = η5-C5Me5). Synthesis and Reaction with Ethylene","Organometallics","2005","24","16","3939","","10.1021/om0503996","","","0.71069","MoKα","","0.0288","0.0231","","","0.0579","0.0601","","","","","","1.09","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075986","23.224","0.003","10.7711","0.0012","16.0211","0.0017","90","","90","","90","","4007.6","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H56 N2 P2 Zn -","- C45 H56 N2 P2 Zn -","- C180 H224 N8 P8 Zn4 -","4","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.0863","0.0627","","","0.1507","0.1606","","","","","","1.028","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075987","14.835","0.005","16.757","0.006","18.924","0.007","73.296","0.007","80.234","0.006","76.048","0.007","4347","3","217","2","217","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H112 N4 O2 P4 Zn2 -","- C92 H112 N4 O2 P4 Zn2 -","- C184 H224 N8 O4 P8 Zn4 -","2","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.1923","0.0712","","","0.2137","0.2595","","","","","","0.89","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4075988","36.134","0.005","12.9004","0.0019","22.125","0.003","90","","124.682","0.002","90","","8481","2","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 Cl2 N2 O0.5 P2 Zn -","- C44 H54 Cl2 N2 O0.5 P2 Zn -","- C352 H432 Cl16 N16 O4 P16 Zn8 -","8","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.1122","0.0457","","","0.1011","0.1349","","","","","","0.919","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075989","12.0882","0.0019","14.91","0.002","16.002","0.003","93.516","0.003","102.306","0.003","112.238","0.003","2575.9","0.7","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H140 N4 O2 P4 Zn2 -","- C118 H140 N4 O2 P4 Zn2 -","- C118 H140 N4 O2 P4 Zn2 -","1","0.5","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.1448","0.086","","","0.1504","0.1702","","","","","","1.138","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4075990","10.0705","0.0004","10.0705","0.0004","15.5383","0.0008","90","","90","","120","","1364.7","0.1","178","2","178","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H45 Ce -","- C30 H45 Ce -","- C60 H90 Ce2 -","2","0.166667","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0196","0.0163","","","0.0408","0.0422","","","","","","1.166","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075991","10.031","0.0004","10.031","0.0004","15.5223","0.0007","90","","90","","120","","1352.62","0.1","158","2","158","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H45 Pr -","- C30 H45 Pr -","- C60 H90 Pr2 -","2","0.166667","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0235","0.0217","","","0.0619","0.0631","","","","","","1.137","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075992","8.5697","0.0011","20.622","0.003","11.8095","0.0015","90","","102.427","0.002","90","","2038.1","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 La2 Se2 -","- C40 H60 La2 Se2 -","- C80 H120 La4 Se4 -","2","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0728","0.0701","","","0.1682","0.1695","","","","","","1.259","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075993","10.4164","0.0006","10.8623","0.0006","13.2748","0.0008","80.935","0.001","83.483","0.001","83.948","0.001","1467.77","0.15","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H92 La2 O2 Se2 -","- C62 H92 La2 O2 Se2 -","- C62 H92 La2 O2 Se2 -","1","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0411","0.0348","","","0.0863","0.091","","","","","","1.063","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075994","10.5137","0.0003","11.2006","0.0004","11.3252","0.0004","80.617","0.001","76.695","0.001","87.129","0.001","1280.38","0.07","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H74 La2 N2 -","- C58 H74 La2 N2 -","- C58 H74 La2 N2 -","1","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0272","0.026","","","0.064","0.0648","","","","","","1.062","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4075995","21.9414","0.0013","14.3377","0.0009","20.4157","0.0012","90","","107.936","0.001","90","","6110.4","0.6","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H90 I3 Sm3 -","- C60 H90 I3 Sm3 -","- C240 H360 I12 Sm12 -","4","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0356","0.0278","","","0.0702","0.0747","","","","","","1.068","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075996","38.1766","0.0018","10.1681","0.0005","15.7555","0.0008","90","","109.123","0.001","90","","5778.5","0.5","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 O2 Sm -","- C62 H90 O4 Sm2 -","- C248 H360 O16 Sm8 -","4","0.5","","Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.","Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm","Organometallics","2005","24","16","3916","","10.1021/om050402l","","","0.71073","MoKα","","0.0483","0.0398","","","0.0745","0.0789","","","","","","1.247","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075997","8.495","0.007","15.544","0.012","16.264","0.012","73.74","0.01","85.911","0.002","77.53","0.01","2013","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","m-xylylene-dicobaloxime","2-nitro meta-xylylene benzyl pyridine dimethylglyoximato dicobaloxime","","- C36 H51 Co2 N11 O11 -","- C36 H51 Co2 N11 O11 -","- C72 H102 Co4 N22 O22 -","2","1","","Vijaikanth, V.; Gupta, B. D.; Mandal, Debaprasad; Shekhar, Shashank","2-Substitutedm-Xylylene-Bridged Dicobaloximes: Structure−Property Relationship Using Variable-Temperature1H NMR Study†","Organometallics","2005","24","18","4454","","10.1021/om050405y","","","0.71073","MoKα","","0.0894","0.0685","","","0.1584","0.1705","","","","","","1.05","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075998","12.0327","0.0008","12.6956","0.0007","13.5546","0.0009","90","","108.144","0.002","90","","1967.7","0.2","293.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 F3 N3 Na O10 Rh S -","- C10 H20 F3 N3 Na O10 Rh S -","- C40 H80 F12 N12 Na4 O40 Rh4 S4 -","4","1","","Ogo, Seiji; Nishida, Hiromi; Hayashi, Hideki; Murata, Yusuke; Fukuzumi, Shunichi","Aqueous Transformation of a Metal Diformate to a Metal Dihydride Carbonyl Complex Accompanied by H2Evolution from the Formato Ligands","Organometallics","2005","24","20","4816","","10.1021/om0504147","","","0.7107","MoKα","","","0.025","","","","0.0664","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075999","12.2466","0.0011","13.0523","0.0012","12.3583","0.0012","90","","110.815","0.002","90","","1846.5","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cr O2 -","- C10 H10 Cr O2 -","- C80 H80 Cr8 O16 -","8","2","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0736","0.0605","","","0.1227","0.1271","","","","","","1.25","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4076000","10.4586","0.001","11.5544","0.0011","26.008","0.003","90","","90","","90","","3142.9","0.6","193","2","193","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C12 H15 Cr F6 O3 P -","- C12 H15 Cr F6 O3 P -","- C96 H120 Cr8 F48 O24 P8 -","8","0.5","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0576","0.0448","","","0.111","0.1189","","","","","","1.05","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076001","42.1994","0.0018","8.4552","0.0004","37.1949","0.0016","90","","115.834","0.0007","90","","11945","0.9","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C33 H38 Cr N2 O2.5 -","- C33 H38 Cr N2 O2.5 -","- C528 H608 Cr16 N32 O40 -","16","2","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0562","0.0482","","","0.1329","0.1396","","","","","","1.04","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076002","10.736","0.0007","11.0577","0.0007","8.0243","0.0005","90","","90","","90","","952.61","0.1","193","2","193","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C13 H23 Cr F6 O2 P3 -","- C13 H23 Cr F6 O2 P3 -","- C26 H46 Cr2 F12 O4 P6 -","2","0.25","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0347","0.0333","","","0.0854","0.0869","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076003","12.0893","0.001","16.7108","0.0014","19.447","0.0016","90","","90","","90","","3928.7","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.5 H38 Cr F6 O3.5 P3 -","- C37.5 H38 Cr F6 O3.5 P3 -","- C150 H152 Cr4 F24 O14 P12 -","4","1","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0859","0.0676","","","0.1759","0.1911","","","","","","1.079","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076004","18.404","0.001","16.115","0.001","17.33","0.001","90","","104.59","0.001","90","","4974","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 P4 Ru S2 -","- C61 H50 P4 Ru S2 -","- C244 H200 P16 Ru4 S8 -","4","1","","Cantat, Thibault; Demange, Matthieu; Mézailles, Nicolas; Ricard, Louis; Jean, Yves; Le Floch, Pascal","A Bis(thiophosphinoyl)methylene Ruthenium Carbene Complex: Synthesis, X-ray Crystal Structure, and DFT Calculations of Its Thermally Promoted Reverse α-Hydride Migration Process","Organometallics","2005","24","20","4838","","10.1021/om0504194","","","0.71069","MoKα","","0.0551","0.035","","","0.083","0.0902","","","","","","1.018","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076005","19.696","0.002","29.112","0.005","19.044","0.004","90","","91.635","0.011","90","","10915","3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H54 Cl2 P4 Ru S2 -","- C63 H54 Cl2 P4 Ru S2 -","- C504 H432 Cl16 P32 Ru8 S16 -","8","2","","Cantat, Thibault; Demange, Matthieu; Mézailles, Nicolas; Ricard, Louis; Jean, Yves; Le Floch, Pascal","A Bis(thiophosphinoyl)methylene Ruthenium Carbene Complex: Synthesis, X-ray Crystal Structure, and DFT Calculations of Its Thermally Promoted Reverse α-Hydride Migration Process","Organometallics","2005","24","20","4838","","10.1021/om0504194","","","0.71073","MoKα","","0.0653","0.0499","","","0.1311","0.1487","","","","","","1.146","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076006","15.984","0.0008","16.6589","0.0007","17.1723","0.0006","74.628","0.003","74.146","0.003","77.839","0.002","4193.9","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1,1,2,2-Tetramesityl-6-methoxy-5-methyl-7-phenyl-1,2-disilacyclohepta-3,4-diene","","- C49 H58 O Si2 -","- C49 H58 O Si2 -","- C196 H232 O4 Si8 -","4","2","","Gottschling, Stephen E.; Milnes, Kaarina K.; Jennings, Michael C.; Baines, Kim M.","Addition of a Cyclopropyl Alkyne to Tetramesityldisilene: Evidence for a Biradical Intermediate and Formation of a Stable 1,2-Disilacyclohepta-3,4-diene","Organometallics","2005","24","16","3811","","10.1021/om0504250","","","0.71073","MoKα","","0.1903","0.0781","","","0.2008","0.2526","","","","","","1.027","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076007","11.0932","0.0012","12.4543","0.0013","16.1824","0.0017","86.041","0.002","80.139","0.002","89.981","0.002","2197.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 O5 Re Si -","- C23 H15 O5 Re Si -","- C92 H60 O20 Re4 Si4 -","4","2","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.066","0.0625","","","0.1795","0.1815","","","","","","1.082","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076008","9.7639","0.0004","16.9418","0.0007","17.9854","0.0008","90","","90","","90","","2975.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 O6 Re2 Si -","- C30 H22 O6 Re2 Si -","- C120 H88 O24 Re8 Si4 -","4","1","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.0186","0.0179","","","0.0445","0.0448","","","","","","1.054","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076009","13.6837","0.0006","10.6083","0.0005","24.8274","0.0011","90","","93.638","0.001","90","","3596.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O8 Re2 Si2 -","- C38 H26 O8 Re2 Si2 -","- C152 H104 O32 Re8 Si8 -","4","1","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.0251","0.0207","","","0.0478","0.0497","","","","","","1.04","","","","has coordinates","295939","2024-11-15","15:38:00",""
"4076010","14.0667","0.0011","10.6056","0.0008","12.097","0.001","90","","117.384","0.001","90","","1602.5","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H20 O8 Re2 Si2 -","- C32 H20 O8 Re2 Si2 -","- C64 H40 O16 Re4 Si4 -","2","0.25","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.0136","0.0132","","","0.0328","0.033","","","","","","1.078","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076011","14.5264","0.0008","6.9596","0.0004","27.9864","0.0016","90","","93.454","0.001","90","","2824.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N Rh -","- C18 H18 N Rh -","- C144 H144 N8 Rh8 -","8","2","","Kohl, Gerald; Rudolph, Ralph; Pritzkow, Hans; Enders, Markus","Catalytic C−H Activation of Hydrocarbons by Rhodium(I) and Iridium(I) Complexes with Hemilabile Quinolyl-Cp Ligands†","Organometallics","2005","24","20","4774","","10.1021/om050438d","","","0.71073","MoKα","","0.0409","0.0394","","","0.0857","0.0862","","","","","","1.341","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076012","7.31","0.005","11.092","0.006","12.134","0.007","81.36","0.04","78.19","0.05","72.32","0.05","913.4","1","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N Rh -","- C22 H26 N Rh -","- C44 H52 N2 Rh2 -","2","1","","Kohl, Gerald; Rudolph, Ralph; Pritzkow, Hans; Enders, Markus","Catalytic C−H Activation of Hydrocarbons by Rhodium(I) and Iridium(I) Complexes with Hemilabile Quinolyl-Cp Ligands†","Organometallics","2005","24","20","4774","","10.1021/om050438d","","","0.71073","MoKα","","0.0728","0.0453","","","0.1014","0.1096","","","","","","1.063","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076013","14.5137","0.0008","6.9902","0.0004","27.8759","0.0015","90","","93.593","0.001","90","","2822.6","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ir N -","- C18 H18 Ir N -","- C144 H144 Ir8 N8 -","8","2","","Kohl, Gerald; Rudolph, Ralph; Pritzkow, Hans; Enders, Markus","Catalytic C−H Activation of Hydrocarbons by Rhodium(I) and Iridium(I) Complexes with Hemilabile Quinolyl-Cp Ligands†","Organometallics","2005","24","20","4774","","10.1021/om050438d","","","0.71073","MoKα","","0.0471","0.0408","","","0.0825","0.0846","","","","","","1.156","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076014","7.2888","0.0001","11.0309","0.0002","12.0453","0.0002","81.382","0.001","78.66","0.001","72.152","0.0001","899.69","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 Ir N -","- C22 H26 Ir N -","- C44 H52 Ir2 N2 -","2","1","","Kohl, Gerald; Rudolph, Ralph; Pritzkow, Hans; Enders, Markus","Catalytic C−H Activation of Hydrocarbons by Rhodium(I) and Iridium(I) Complexes with Hemilabile Quinolyl-Cp Ligands†","Organometallics","2005","24","20","4774","","10.1021/om050438d","","","0.71073","MoKα","","0.0379","0.0372","","","0.0989","0.0995","","","","","","1.115","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076015","14.5538","0.0006","14.2109","0.0007","17.5636","0.0008","90","","101.834","0.003","90","","3555.3","0.3","183.2","","183.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 B F4 Ir O P2 -","- C41 H35 B F4 Ir O P2 -","- C164 H140 B4 F16 Ir4 O4 P8 -","4","1","","Li, Xingwei; Chen, Peng; Faller, Jack W.; Crabtree, Robert H.","Cycloiridation ofα,β-Unsaturated Ketones, Esters, and Acetophenone","Organometallics","2005","24","20","4810","","10.1021/om050441x","","","0.7107","MoKα","","0.0973","0.051","","0.071","","0.06","","","1.231","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076016","9.7662","0.0008","13.47","0.001","15.95","0.002","90","","101.026","0.003","90","","2059.5","0.3","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 B F4 O3 Ru2 -","- C19 H25 B F4 O3 Ru2 -","- C76 H100 B4 F16 O12 Ru8 -","4","1","","Takai, Yasutomo; Kitaura, Ryo; Nakatani, Emi; Onishi, Takafumi; Kurosawa, Hideo","Conversion of Allylic Alcohols to Carbonyl Compounds Catalyzed by Alkoxy-Bridged Dinuclear Areneruthenium Complexes","Organometallics","2005","24","20","4729","","10.1021/om050442p","","","0.7107","MoKα","","","0.0794","","","","0.0869","","","","","","3.853","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076017","11.563","0.006","14.122","0.007","14.828","0.008","62.189","0.008","75.631","0.009","66.245","0.008","1954.7","1.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H82 Ag2 F12 N8 O7 P2 S2 -","- C64 H82 Ag2 F12 N8 O7 P2 S2 -","- C64 H82 Ag2 F12 N8 O7 P2 S2 -","1","0.5","","Wan, Xiang-Jian; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi","Synthesis and Crystal Structures of Binuclear Metallocyclophane with N-Heterocyclic Carbene Linkage by the π−π Stacking Interaction","Organometallics","2005","24","24","6066","","10.1021/om050443h","","","0.71073","MoKα","","0.0869","0.0558","","","0.1555","0.1836","","","","","","1.098","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076018","21.634","0.003","34.632","0.005","14.445","0.0019","90","","126.142","0.002","90","","8740","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H20.25 F6 Hg0.5 N3.75 O P -","- C17.5 H20.25 F6 Hg0.5 N3.75 O P -","- C280 H324 F96 Hg8 N60 O16 P16 -","16","2","","Wan, Xiang-Jian; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi","Synthesis and Crystal Structures of Binuclear Metallocyclophane with N-Heterocyclic Carbene Linkage by the π−π Stacking Interaction","Organometallics","2005","24","24","6066","","10.1021/om050443h","","","0.71073","MoKα","","0.0789","0.0408","","","0.1073","0.1398","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076019","9.8903","0.0008","15.1185","0.0013","22.7279","0.0018","90","","90","","90","","3398.4","0.5","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H51 B10 Cl N Na O4 Zr -","- C21 H51 B10 Cl N Na O4 Zr -","- C84 H204 B40 Cl4 N4 Na4 O16 Zr4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Bi, Siwei; Lin, Zhenyang; Xie, Zuowei","Functional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarboranes Incorporating theη7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4333","","10.1021/om050454a","","","0.71073","MoKα","","0.1206","0.0602","","","0.1418","0.1828","","","","","","1.014","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076020","9.939","0.002","22.339","0.005","15.553","0.003","90","","90","0.03","90","","3453.2","1.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H54 B10 Cl N2 Na O3 Zr -","- C22 H54 B10 Cl N2 Na O3 Zr -","- C88 H216 B40 Cl4 N8 Na4 O12 Zr4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Bi, Siwei; Lin, Zhenyang; Xie, Zuowei","Functional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarboranes Incorporating theη7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4333","","10.1021/om050454a","","","0.71073","MoKα","","0.0912","0.0817","","","0.2234","0.2367","","","","","","1.09","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076021","29.9488","0.0013","29.9488","0.0013","13.7241","0.0009","90","","90","","90","","12309.6","1.1","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C56 H148 B40 N4 Na O8 Sm5 -","- C56 H148 B40 N4 Na O8 Sm5 -","- C224 H592 B160 N16 Na4 O32 Sm20 -","4","0.25","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Bi, Siwei; Lin, Zhenyang; Xie, Zuowei","Functional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarboranes Incorporating theη7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4333","","10.1021/om050454a","","","0.71073","MoKα","","0.1759","0.1087","","","0.2636","0.3387","","","","","","1.095","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076022","14.64","0.04","19.22","0.05","8.59","0.03","98.8","0.2","90","0.3","89.8","0.2","2389","12","200.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 P2 Ru S -","- C22 H38 P2 Ru S -","- C88 H152 P8 Ru4 S4 -","4","2","","Hirano, Masafumi; Sakaguchi, Yuko; Yajima, Toshiaki; Kurata, Naoki; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric and Catalytic sp3C-H/D2Exchange Reactions ofortho-Substituted Benzenethiol and Phenols by a Ruthenium(II) Complex. Effect of a Chalcogen Anchor on the Bond Cleavage Reaction","Organometallics","2005","24","20","4799","","10.1021/om0504598","","","0.7107","MoKα","","","0.0747","","","","0.1127","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076023","9.566","0.004","16.24","0.02","17.769","0.004","90.01","0.05","105.29","0.02","89.97","0.06","2663","4","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 P4 Ru S -","- C20 H44 P4 Ru S -","- C80 H176 P16 Ru4 S4 -","4","2","","Hirano, Masafumi; Sakaguchi, Yuko; Yajima, Toshiaki; Kurata, Naoki; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric and Catalytic sp3C-H/D2Exchange Reactions ofortho-Substituted Benzenethiol and Phenols by a Ruthenium(II) Complex. Effect of a Chalcogen Anchor on the Bond Cleavage Reaction","Organometallics","2005","24","20","4799","","10.1021/om0504598","","","0.7107","MoKα","","0.0466","0.0466","","","0.0503","0.0503","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076024","9.4836","0.0009","17.9286","0.0017","20.9933","0.0019","90","","90","","90","","3569.4","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Ge S2 -","- C45 H38 Ge S2 -","- C180 H152 Ge4 S8 -","4","1","","Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Couret, Claude; Gornitzka, Heinz; Atmani, Aziz","Reactivity of Germene Mes2GeCR2with Cumulative Unsaturation-Containing Compounds: Synthesis of New Germanium Heterocycles","Organometallics","2005","24","22","5364","","10.1021/om0504607","","","0.71073","MoKα","","0.065","0.044","","","0.0753","0.0812","","","","","","1.023","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076025","9.059","0.005","11.76","0.006","19.624","0.009","95.898","0.017","97.581","0.013","91.707","0.012","2059.4","1.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H55 Ge2 N O -","- C50 H55 Ge2 N O -","- C100 H110 Ge4 N2 O2 -","2","1","","Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Couret, Claude; Gornitzka, Heinz; Atmani, Aziz","Reactivity of Germene Mes2GeCR2with Cumulative Unsaturation-Containing Compounds: Synthesis of New Germanium Heterocycles","Organometallics","2005","24","22","5364","","10.1021/om0504607","","","0.71073","MoKα","","0.124","0.0783","","","0.2182","0.2884","","","","","","1.07","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076026","12.364","0.002","13.339","0.002","7.8955","0.0014","90","","90","","90","","1302.2","0.4","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H22 F I N2 Pt -","- C8 H22 F I0.886 N2 Pt -","- C32 H88 F4 I3.544 N8 Pt4 -","4","0.5","","Hughes, Russell P.; Laritchev, Roman B.; Zakharov, Lev N.; Rheingold, Arnold L.","Unexpected Formation of an Organoplatinum(IV) Fluoride Complex in the Reaction of Pt(TMEDA)(CH3)2with Perfluoro-sec-butyl Iodide","Organometallics","2005","24","20","4845","","10.1021/om0504654","","","0.71073","MoKα","","0.0306","0.0276","","","0.0688","0.0699","","","","","","1.173","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076027","7.3919","0.0008","11.0879","0.0011","18.6596","0.0018","97.989","0.005","91.177","0.005","99.269","0.005","1493.3","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Fe4 O3 -","- C39 H30 Fe4 O3 -","- C78 H60 Fe8 O6 -","2","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","","0.0376","0.029","","","0.0753","0.0775","","","","","","1.104","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076028","7.84","0.0012","11.995","0.0008","14.489","0.0008","94.442","0.005","93.843","0.008","105.805","0.008","1301.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Fe4 O6 -","- C30 H20 Fe4 O6 -","- C60 H40 Fe8 O12 -","2","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","","0.078","0.039","","","0.0894","0.1031","","","","","","1.02","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076029","35.321","0.003","6.426","0.0007","24.858","0.0018","90","","121.848","0.006","90","","4792.7","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Fe3 O4 -","- C28 H20 Fe3 O4 -","- C224 H160 Fe24 O32 -","8","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.1855","0.0535","","","0.0989","0.1262","","","","","","0.972","","","","has coordinates","178649","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",""
"4076031","8.062","0.0009","24.103","0.0007","9.958","0.0017","90","","90","","90","","1935","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H11 Fe S0.5 -","- C12 H11 Fe S0.5 -","- C96 H88 Fe8 S4 -","8","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.0556","0.0481","","","0.149","0.1567","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076032","12.2208","0.0013","13.6627","0.0014","22.913","0.002","75.798","0.002","84.57","0.002","64.935","0.002","3359.4","0.6","86","2","86","2","","","","","","","","3","P -1","-P 1","2","Bert*Pb(II)Pb(IV)Bert*.benzene","","","- C78 H102 Pb2 -","- C78 H102 Pb2 -","- C156 H204 Pb4 -","2","1","","Hino, Shirley; Olmstead, Marilyn M.; Power, Philip P.","Characterization of a Plumbylplumbylene: An Isomeric Form of a “Diplumbene”","Organometallics","2005","24","22","5484","","10.1021/om050482t","","","0.71073","MoKα","","0.0296","0.022","","","0.0504","0.0525","","","","","","1.037","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076033","11.489","0.001","16.829","0.001","21.153","0.002","90","","91.547","0.002","90","","4088.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Fe P2 Ru -","- C53 H44 Fe P2 Ru -","- C212 H176 Fe4 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.066","0.043","","0.061","","0.055","","","1.013","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076034","11.484","0.001","16.822","0.002","21.208","0.002","90","","91.704","0.003","90","","4095.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Fe Os P2 -","- C53 H44 Fe Os P2 -","- C212 H176 Fe4 Os4 P8 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.087","0.045","","0.06","","0.053","","","0.957","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076035","13.4266","0.0007","13.9603","0.0007","18.912","0.001","90","","109.37","0.001","90","","3344.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Fe P2 Ru -","- C42 H36 Fe P2 Ru -","- C168 H144 Fe4 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.064","0.044","","0.063","","0.056","","","1.092","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076036","17.577","0.002","9.5733","0.001","20.232","0.002","90","","99.597","0.003","90","","3356.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Fe P2 Ru -","- C43 H38 Fe P2 Ru -","- C172 H152 Fe4 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.047","0.031","","0.041","","0.038","","","1.011","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076037","19.574","0.001","12.77","0.001","16.57","0.002","90","","109.423","0.002","90","","3906.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Fe P2 Ru -","- C48 H48 Fe P2 Ru -","- C192 H192 Fe4 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.05","0.034","","0.046","","0.043","","","0.985","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076038","9.918","0.003","10.71","0.003","17.525","0.005","89.258","0.005","84.795","0.005","72.66","0.005","1769.4","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H78 Fe P4 Ru2 -","- C88 H78 Fe P4 Ru2 -","- C88 H78 Fe P4 Ru2 -","1","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.141","0.087","","0.146","","0.114","","","1.088","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076039","11.727","0.001","12.127","0.001","15.625","0.001","107.713","0.002","111.541","0.002","90.528","0.002","1950.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H102 Fe O2 P4 Ru2 -","- C94 H102 Fe O2 P4 Ru2 -","- C94 H102 Fe O2 P4 Ru2 -","1","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.082","0.057","","0.08","","0.073","","","1.054","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076040","10.84","0.005","12.788","0.005","15.278","0.006","108.553","0.007","95.423","0.007","95.282","0.007","1982","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H102 Fe3 O2 P4 -","- C94 H102 Fe3 O2 P4 -","- C94 H102 Fe3 O2 P4 -","1","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.152","0.079","","0.131","","0.103","","","0.987","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076041","16.317","0.001","10.271","0.0008","21.581","0.002","90","","101.885","0.002","90","","3539.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41.725 H30.45 Cl1.45 Fe N4 P Ru -","- C41.728 H30.456 Cl1.456 Fe N4 P Ru -","- C166.912 H121.824 Cl5.824 Fe4 N16 P4 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.062","0.042","","0.06","","0.054","","","1.036","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076042","8.9587","0.0006","19.281","0.001","25.191","0.002","90","","96.774","0.002","90","","4320.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cl2 Fe N4 P2 Ru -","- C50 H40 Cl2 Fe N4 P2 Ru -","- C200 H160 Cl8 Fe4 N16 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.073","0.044","","0.075","","0.067","","","1.02","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076043","8.9577","0.0005","19.265","0.001","25.124","0.001","90","","96.562","0.001","90","","4307.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cl2 Fe N4 Os P2 -","- C50 H40 Cl2 Fe N4 Os P2 -","- C200 H160 Cl8 Fe4 N16 Os4 P8 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.064","0.042","","0.13","","0.087","","","1.083","","","0.9","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076044","13.26","0.002","21.108","0.003","17.984","0.003","90","","104.137","0.002","90","","4881.1","1.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H54 Fe N4 O1.18 P2 Ru -","- C57 H54 Fe N4 O1.182 P2 Ru -","- C228 H216 Fe4 N16 O4.728 P8 Ru4 -","4","1","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.081","0.047","","0.069","","0.06","","","0.98","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076045","15.657","0.003","14.345","0.003","27.231","0.005","90","","98.409","0.003","90","","6050","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Fe N8 P2 Ru2 -","- C72 H48 Fe N8 P2 Ru2 -","- C288 H192 Fe4 N32 P8 Ru8 -","4","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.119","0.08","","0.123","","0.107","","","1.171","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076046","16.267","0.002","18.328","0.003","18.488","0.003","90","","99.199","0.003","90","","5441.2","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C136 H132 B2 Fe P4 Ru2 -","- C136 H132 B2 Fe P4 Ru2 -","- C272 H264 B4 Fe2 P8 Ru4 -","2","0.5","","Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.","Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium","Organometallics","2005","24","22","5241","","10.1021/om050483l","","","0.71073","MoKα","","0.082","0.051","","0.074","","0.065","","","1.021","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076047","9.3844","0.0005","9.1907","0.0004","21.6907","0.001","90","","93.268","0.001","90","","1867.76","0.15","153","1","153","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H56 P4 Pt2 Si4 -","- C28 H56 P4 Pt2 Si4 -","- C56 H112 P8 Pt4 Si8 -","2","0.5","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0267","0.025","","","0.0639","0.0652","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076048","10.675","0.003","18.534","0.003","11.588","0.002","90","","107.95","0.02","90","","2181.1","0.8","223","1","223","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 P4 Pt2 Si4 -","- C36 H72 P4 Pt2 Si4 -","- C72 H144 P8 Pt4 Si8 -","2","0.5","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0451","0.0295","","","0.0719","0.077","","","","","","1.03","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076049","9.289","0.001","14.023","0.002","18.694","0.003","88.214","0.003","88.025","0.003","76.432","0.002","2365","0.6","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 P6 Pt2 Si4 -","- C34 H72 P6 Pt2 Si4 -","- C68 H144 P12 Pt4 Si8 -","2","1","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0885","0.0782","","","0.2522","0.2581","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076050","9.6262","0.0005","8.7017","0.0005","34.26","0.002","90","","91.957","0.001","90","","2868.1","0.3","153","1","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 P2 Pt Si4 -","- C22 H42 P2 Pt Si4 -","- C88 H168 P8 Pt4 Si16 -","4","1","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0418","0.0367","","","0.077","0.0797","","","","","","1.155","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076051","16.8631","0.0008","18.911","0.0009","19.5125","0.001","90","","115.406","0.001","90","","5620.7","0.5","153","1","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 P2 Pt Si4 -","- C22 H40 P2 Pt Si4 -","- C176 H320 P16 Pt8 Si32 -","8","2","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0485","0.0353","","","0.0792","0.0868","","","","","","1.036","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076052","8.8429","0.0005","17.0603","0.0009","18.49","0.001","90","","90","","90","","2789.4","0.3","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 P2 Pt Si4 -","- C22 H40 P2 Pt Si4 -","- C88 H160 P8 Pt4 Si16 -","4","1","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0245","0.0226","","","0.0487","0.0494","","","","","","0.976","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076053","15.3126","0.0002","16.3293","0.0002","16.7496","0.0002","90","","94.382","0.001","90","","4175.89","0.09","120","1","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 Br F6 Fe O P3 -","- C45.5 H43 Br F6 Fe O2 P3 -","- C182 H172 Br4 F24 Fe4 O8 P12 -","4","1","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0818","0.0681","","","0.1704","0.1821","","","","","","0.994","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076054","15.2639","0.0003","16.6781","0.0003","16.5813","0.0003","90","","93.1275","0.0008","90","","4214.86","0.14","120","1","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 F6 Fe N O2 P3 -","- C45 H47 F6 Fe N O2 P3 -","- C180 H188 F24 Fe4 N4 O8 P12 -","4","1","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0903","0.0664","","","0.169","0.1904","","","","","","1.008","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076055","25.1849","0.0004","16.6927","0.0003","18.816","0.0004","90","","90","","90","","7910.3","0.3","120","1","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H44 F6 Fe P3 -","- C44 H44 F6 Fe P3 -","- C352 H352 F48 Fe8 P24 -","8","2","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0993","0.0713","","","0.1687","0.1921","","","","","","1.073","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076056","27.4521","0.0006","13.0301","0.0003","23.5369","0.0004","90","","91.237","0.001","90","","8417.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H184 F24 Fe4 P12 -","- C180 H184 F24 Fe4 P12 -","- C360 H368 F48 Fe8 P24 -","2","0.25","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.154","0.067","","","0.1752","0.2176","","","","","","1.02","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076057","13.0259","0.0002","15.1369","0.0003","23.4141","0.0005","90","","105.934","0.001","90","","4439.22","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 Cl2 F6 Fe N P3 -","- C45 H47 Cl2 F6 Fe N P3 -","- C180 H188 Cl8 F24 Fe4 N4 P12 -","4","1","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.1211","0.0712","","","0.184","0.2158","","","","","","1.042","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076058","11.7138","0.0001","21.1255","0.0002","17.4624","0.0002","90","","90.087","0.002","90","","4321.24","0.07","120","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 F6 Fe P3 -","- C48 H52 F6 Fe P3 -","- C192 H208 F24 Fe4 P12 -","4","1","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0497","0.0435","","","0.118","0.1236","","","","","","1.022","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076059","13.062","0.004","14.194","0.007","15.229","0.004","66.88","0.03","70.28","0.02","63.82","0.03","2283.8","1.6","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H37 Cl3 F6 N O2 P3 Ru S -","- C42 H37 Cl3 F6 N O2 P3 Ru S -","- C84 H74 Cl6 F12 N2 O4 P6 Ru2 S2 -","2","1","","Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)","Organometallics","2005","24","22","5342","","10.1021/om050514c","","","1.54178","CuKα","","0.067","0.0473","","","0.1116","0.1203","","","","","","1.03","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076060","17.314","0.002","9.4199","0.001","25.059","0.003","90","","92.716","0.008","90","","4082.4","0.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 Cl4 N O P2 Ru S -","- C41 H37 Cl4 N O P2 Ru S -","- C164 H148 Cl16 N4 O4 P8 Ru4 S4 -","4","1","","Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)","Organometallics","2005","24","22","5342","","10.1021/om050514c","","","0.71073","MoKα","","0.1972","0.0792","","","0.1394","0.1692","","","","","","0.913","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076061","12.5073","0.0018","12.9507","0.0016","13.3127","0.0011","85.265","0.007","87.535","0.012","88.242","0.012","2146.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H40 Cl6 Ir N P2 S -","- C41.001 H40.002 Cl6.002 Ir N P2 S -","- C82.002 H80.004 Cl12.004 Ir2 N2 P4 S2 -","2","1","","Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)","Organometallics","2005","24","22","5342","","10.1021/om050514c","","","0.71073","MoKα","","0.0717","0.0456","","","0.0908","0.098","","","","","","1.002","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076062","9.513","0.002","14.79","0.002","24.54","0.002","73.757","0.011","87.499","0.012","87.346","0.018","3309.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H42 Cl20 Ir N P2 S2 -","- C46 H42 Cl20 Ir N P2 S2 -","- C92 H84 Cl40 Ir2 N2 P4 S4 -","2","1","","Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)","Organometallics","2005","24","22","5342","","10.1021/om050514c","","","0.71073","MoKα","","0.066","0.0504","","","0.1242","0.1314","","","","","","1.028","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076063","10.8248","0.0002","12.6089","0.0003","20.0674","0.0005","90","","92.6808","0.001","90","","2735.98","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 1","","","- C25 H45 La Mg O5 -","- C25 H45 La Mg O5 -","- C100 H180 La4 Mg4 O20 -","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","MoKα","","0.0803","0.0485","","","0.0897","0.101","","","","","","1.045","","","","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",""
"4076065","12.3977","0.0002","21.6574","0.0002","14.9078","0.0002","90","","104.417","0.0005","90","","3876.72","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C73 H126 Mg O6 Sm4 -","- C73 H126 Mg O6 Sm4 -","- C146 H252 Mg2 O12 Sm8 -","2","0.5","","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","MoKα","","0.0697","0.0402","","","0.0838","0.093","","","","","","1.024","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076066","23.3797","0.0004","21.6107","0.0004","12.3467","0.0003","90","","103.252","0.0008","90","","6072.1","0.2","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 5","","","- C56 H104 Mg O8 Sm2 -","- C56 H104 Mg O8 Sm2 -","- C224 H416 Mg4 O32 Sm8 -","4","0.5","","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","MoKα","","0.0658","0.0391","","","0.0747","0.0838","","","","","","1.022","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076067","12.6296","0.001","14.8567","0.0011","19.8143","0.0014","90","","90","","90","","3717.8","0.5","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Cl2 Fe N P2 Pd -","- C37 H35 Cl2 Fe N P2 Pd -","- C148 H140 Cl8 Fe4 N4 P8 Pd4 -","4","1","","Ghent, Brenna L.; Sites, Lauren A.; Rheingold, Arnold L.; Nataro, Chip","BoPhoz Ligands: Anodic Electrochemistry and Complexes†","Organometallics","2005","24","20","4788","","10.1021/om050516x","","","0.71073","MoKα","","0.0346","0.032","","","0.0814","0.0825","","","","","","1.045","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076068","8.3478","0.0008","19.0037","0.0019","22.389","0.002","90","","90","","90","","3551.8","0.6","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 Cl2 Fe N P2 Pd -","- C37 H47 Cl2 Fe N P2 Pd -","- C148 H188 Cl8 Fe4 N4 P8 Pd4 -","4","1","","Ghent, Brenna L.; Sites, Lauren A.; Rheingold, Arnold L.; Nataro, Chip","BoPhoz Ligands: Anodic Electrochemistry and Complexes†","Organometallics","2005","24","20","4788","","10.1021/om050516x","","","0.71073","MoKα","","0.0275","0.0257","","","0.0624","0.0631","","","","","","1.103","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076069","6.6982","0.0019","8.581","0.003","13.423","0.004","76.702","0.005","84.661","0.006","88.959","0.006","747.6","0.4","383","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H12 Cl4 N2 Pd -","- C13 H12 Cl4 N2 Pd -","- C26 H24 Cl8 N4 Pd2 -","2","2","","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","The Firsttrans-Configured Cyclopalladated Amine","Organometallics","2005","24","22","5491","","10.1021/om050524d","","","0.7107","MoKα","","0.0849","0.0683","","","0.1674","0.1763","","","","","","1.013","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076070","14.3848","0.0015","7.5381","0.0007","15.2675","0.0013","90","","110.582","0.01","90","","1549.8","0.3","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cl3 N2 Nb Si -","- C10 H18 Cl3 N2 Nb Si -","- C40 H72 Cl12 N8 Nb4 Si4 -","4","1","","Maestre, M. Carmen; Tabernero, Vanessa; Mosquera, Marta E. G.; Jiménez, Gerardo; Cuenca, Tomás","Cyclopentadienyl-Silyl-Amido Niobium Complexes Prepared by a Transmetalation Reaction Using Ti{η5-C5H4SiMe2-η-N(CH2)2NRR‘}Cl2†","Organometallics","2005","24","24","5853","","10.1021/om0505312","","x-ray","0.71073","MoKα","","0.0568","0.0326","","","0.0633","0.0687","","","","","","1.006","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076071","9.7813","0.0006","23.2181","0.0014","15.7888","0.0009","90","","92.114","0.001","90","","3583.2","0.4","96","2","96","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B N5 Pt -","- C36 H58 B N5 Pt -","- C144 H232 B4 N20 Pt4 -","4","1","","Thomas, Christine M.; Peters, Jonas C.","Comparative Studies with Zwitterionic Platinum(II) Bis(pyrazolyl)borate and 2,2‘-Bipyridylborate Complexes","Organometallics","2005","24","24","5858","","10.1021/om050538j","","","0.71073","MoKα","","0.0327","0.0299","","","0.0721","0.0728","","","","","","1.773","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076073","14.8387","0.0011","17.0287","0.0013","17.1175","0.0013","90","","103.087","0.001","90","","4213","0.6","96","2","96","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 B N5 Pt -","- C46 H62 B N5 Pt -","- C184 H248 B4 N20 Pt4 -","4","1","","Thomas, Christine M.; Peters, Jonas C.","Comparative Studies with Zwitterionic Platinum(II) Bis(pyrazolyl)borate and 2,2‘-Bipyridylborate Complexes","Organometallics","2005","24","24","5858","","10.1021/om050538j","","","0.71073","MoKα","","0.0491","0.0306","","","0.0509","0.0533","","","","","","1.249","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076074","8.2302","0.0007","14.2054","0.0011","14.6026","0.0012","67.3","0.001","74.056","0.001","82.565","0.001","1513.9","0.2","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 B N4 Pt -","- C33 H35 B N6 Pt -","- C66 H70 B2 N12 Pt2 -","2","1","","Thomas, Christine M.; Peters, Jonas C.","Comparative Studies with Zwitterionic Platinum(II) Bis(pyrazolyl)borate and 2,2‘-Bipyridylborate Complexes","Organometallics","2005","24","24","5858","","10.1021/om050538j","","","0.71073","MoKα","","0.0342","0.0306","","","0.0713","0.0721","","","","","","1.497","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076075","15.901","0.003","7.3668","0.0012","12.472","0.002","90","","109.739","0.002","90","","1375.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3a","Bis[N(ethylideneimino)acetimidato-N,O]silacyclobutane","","- C11 H20 N4 O2 Si -","- C11 H20 N4 O2 Si -","- C44 H80 N16 O8 Si4 -","4","0.5","","Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement","Organometallics","2005","24","24","5786","","10.1021/om0505559","","","0.71073","MoKα","","0.0602","0.0497","","","0.1096","0.1144","","","","","","1.12","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076076","11.1551","0.001","9.0352","0.0008","43.602","0.004","90","","90","","90","","4394.6","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4b","","","- C23 H28 N4 O2 Si -","- C23 H28 N4 O2 Si -","- C184 H224 N32 O16 Si8 -","8","2","","Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement","Organometallics","2005","24","24","5786","","10.1021/om0505559","","","0.71073","MoKα","","0.088","0.0716","","","0.1413","0.1473","","","","","","1.165","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076077","31.124","0.003","8.5609","0.0007","31.249","0.003","90","","96.615","0.002","90","","8270.8","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","7c","","","- C21 H24 N4 O2 Si -","- C21 H24 N4 O2 Si -","- C336 H384 N64 O32 Si16 -","16","2","","Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement","Organometallics","2005","24","24","5786","","10.1021/om0505559","","","0.71073","MoKα","","0.0685","0.0536","","","0.1216","0.1281","","","","","","1.091","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076078","11.8789","0.0006","19.3238","0.001","16.9639","0.0009","90","","95.917","0.001","90","","3873.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cl F3 N2 O3 Os S -","- C38 H50 Cl F3 N2 O3 Os S -","- C152 H200 Cl4 F12 N8 O12 Os4 S4 -","4","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique","N-Heterocyclic Carbene−Osmium Complexes for Olefin Metathesis Reactions","Organometallics","2005","24","18","4343","","10.1021/om050569e","","","0.71073","MoKα","","0.0297","0.0244","","","0.0524","0.0536","","","","","","0.954","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076079","10.5489","0.0013","13.6621","0.0017","17.715","0.002","90.72","0.002","99.395","0.002","112.231","0.002","2323.9","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H58 Cl3 F3 N2 O3 Os S -","- C46 H58 Cl3 F3 N2 O3 Os S -","- C92 H116 Cl6 F6 N4 O6 Os2 S2 -","2","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique","N-Heterocyclic Carbene−Osmium Complexes for Olefin Metathesis Reactions","Organometallics","2005","24","18","4343","","10.1021/om050569e","","","0.71073","MoKα","","0.0472","0.034","","","0.0596","0.0618","","","","","","0.858","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076080","14.289","0.005","13.482","0.005","19.369","0.008","90","","100.15","0.02","90","","3673","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H39 Cl3 P2 Pt -","- C36.5 H39 Cl3 P2 Pt -","- C146 H156 Cl12 P8 Pt4 -","4","1","","Doherty, Simon; Goodrich, Peter; Hardacre, Christopher; Luo, He−Kuan; Nieuwenhuyzen, Mark; Rath, Rakesh K.","Lewis Acid Platinum Complexes of Conformationally Flexible NUPHOS Diphosphines: Highly Efficient Catalysts for the Carbonyl−Ene Reaction","Organometallics","2005","24","24","5945","","10.1021/om0505716","","","1.54178","CuKα","","0.0685","0.0587","","","0.1582","0.1675","","","","","","1.127","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076081","11.647","0.003","23.066","0.005","19.835","0.004","90","","102.196","0.004","90","","5208","2","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H52 Cl6 N2 O8 P2 Pt -","- C48 H52 Cl6 N2 O8 P2 Pt -","- C192 H208 Cl24 N8 O32 P8 Pt4 -","4","2","","Doherty, Simon; Goodrich, Peter; Hardacre, Christopher; Luo, He−Kuan; Nieuwenhuyzen, Mark; Rath, Rakesh K.","Lewis Acid Platinum Complexes of Conformationally Flexible NUPHOS Diphosphines: Highly Efficient Catalysts for the Carbonyl−Ene Reaction","Organometallics","2005","24","24","5945","","10.1021/om0505716","","","0.71073","MoKα","","0.053","0.0413","","","0.0849","0.0903","","","","","","0.976","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076082","11.1134","0.0011","10.8541","0.0011","17.9936","0.0019","90","","96.944","0.003","90","","2154.6","0.4","188","2","188","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H54 N2 P2 Ru Si4 -","- C32 H54 N2 P2 Ru Si4 -","- C64 H108 N4 P4 Ru2 Si8 -","2","0.5","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.71069","MoKα","","0.0436","0.0328","","","0.0844","0.0885","","","","","","0.972","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4076083","10.2121","0.0004","10.3162","0.0003","22.133","0.001","87.707","0.007","79.077","0.006","64.334","0.004","2061.24","0.16","173.2","","173.2","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H58 N2 Na O P Ru Si2 -","- C43 H58 N2 Na O P Ru Si2 -","- C86 H116 N4 Na2 O2 P2 Ru2 Si4 -","2","1","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.7107","MoKα","","0.052","0.029","","0.0821","","0.0821","","","1.484","","","1.485","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076084","9.0674","0.0003","19.9274","0.0005","23.055","0.001","90","","90","","90","","4165.8","0.3","198.2","","198.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H58 Li N2 O P Ru Si2 -","- C43 H58 Li N2 O P Ru Si2 -","- C172 H232 Li4 N8 O4 P4 Ru4 Si8 -","4","1","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.7107","MoKα","","0.0461","0.026","","0.0688","","0.0688","","","0.944","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076085","42.2752","0.0007","42.2752","0.0007","9.0004","0.0003","90","","90","","120","","13930.4","0.6","173.2","","173.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H43 N2 P Ru Si2 -","- C32 H43 N2 P Ru Si2 -","- C576 H774 N36 P18 Ru18 Si36 -","18","1","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.7107","MoKα","","0.0502","0.028","","0.0759","","0.0759","","","0.875","","","0.875","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076086","20.3845","0.0008","21.7255","0.0008","43.1498","0.0019","90","","90","","90","","19109.5","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44.5 H63 N2 P3 Ru Si4 -","- C44.5 H63 N2 P3 Ru Si4 -","- C712 H1008 N32 P48 Ru16 Si64 -","16","2","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.71069","MoKα","","0.0831","0.0642","","","0.1484","0.1581","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076087","14.1508","0.0006","20.5058","0.0008","14.7262","0.0006","90","","90.897","0.001","90","","4272.6","0.3","100","1","100","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Cl5 D O2 P2 Pt -","- C45 H36 Cl5 D O2 P2 Pt -","- C180 H144 Cl20 D4 O8 P8 Pt4 -","4","1","","van der Vlugt, Jarl Ivar; van Duren, Ruben; Batema, Guido D.; den Heeten, René; Meetsma, Auke; Fraanje, Jan; Goubitz, Kees; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Vogt, Dieter","Platinum Complexes of Rigid Bidentate Phosphine Ligands in the Hydroformylation of 1-Octene","Organometallics","2005","24","22","5377","","10.1021/om050575a","","","0.71073","MoKα","","0.0329","0.0275","","","0.065","0.0673","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076088","11.114","0.002","13.035","0.003","13.05","0.002","104.61","0.02","95.16","0.01","95.38","0.02","1808.7","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cl2 P2 Pt -","- C42 H32 Cl2 P2 Pt -","- C84 H64 Cl4 P4 Pt2 -","2","1","","van der Vlugt, Jarl Ivar; van Duren, Ruben; Batema, Guido D.; den Heeten, René; Meetsma, Auke; Fraanje, Jan; Goubitz, Kees; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Vogt, Dieter","Platinum Complexes of Rigid Bidentate Phosphine Ligands in the Hydroformylation of 1-Octene","Organometallics","2005","24","22","5377","","10.1021/om050575a","","","0.71069","MoKα","","0.04","0.028","","0.044","","0.031","","","1.476","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076089","12.356","0.003","8.487","0.0017","18.52","0.004","90","","91.9","0.03","90","","1941","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H66 N2 Si10 -","- C22 H66 N2 Si10 -","- C44 H132 N4 Si20 -","2","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0425","0.0391","","","0.1071","0.1091","","","","","","1.068","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076090","14.398","0.003","25.476","0.005","10.577","0.002","90","","90","","90","","3879.7","1.3","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H60 O2 Si8 -","- C22 H60 O2 Si8 -","- C88 H240 O8 Si32 -","4","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0922","0.0655","","","0.1872","0.2038","","","","","","1.018","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076091","12.628","0.003","10.543","0.002","14.917","0.003","90","","106.36","0.03","90","","1905.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H60 O2 Si8 -","- C22 H60 O2 Si8 -","- C44 H120 O4 Si16 -","2","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0998","0.0619","","","0.1621","0.1837","","","","","","1.035","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4076092","10.014","0.002","10.973","0.002","14.842","0.003","90","","97.02","0.03","90","","1618.7","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H48 O2 Si8 -","- C16 H48 O2 Si8 -","- C32 H96 O4 Si16 -","2","0.5","","Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith","Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes","Organometallics","2005","24","26","6374","","10.1021/om050587w","","","0.71073","MoKα","","0.0989","0.0564","","","0.1226","0.1338","","","","","","0.961","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076093","9.197","0.001","11.255","0.001","17.432","0.001","79.97","0.01","87.83","0.01","86.5","0.01","1772.9","0.3","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O Ti -","- C19 H27 N O Ti -","- C76 H108 N4 O4 Ti4 -","4","2","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0884","0.0512","","","0.1047","0.1188","","","","","","1.023","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076094","8.889","0.001","8.988","0.001","10.515","0.001","111.86","0.01","94.71","0.01","104.14","0.01","741.95","0.16","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O Ti -","- C16 H21 N O Ti -","- C32 H42 N2 O2 Ti2 -","2","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0445","0.0377","","","0.0992","0.1038","","","","","","1.034","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076095","7.82","0.001","11.577","0.001","16.91","0.001","90","","90","","90","","1530.9","0.3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O Ti -","- C16 H21 N O Ti -","- C64 H84 N4 O4 Ti4 -","4","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0655","0.0424","","","0.0907","0.099","","","","","","0.972","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076096","9.409","0.001","9.442","0.001","11.747","0.001","76.51","0.01","73.7","0.01","65.31","0.01","901.99","0.18","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O Zr -","- C19 H27 N O Zr -","- C38 H54 N2 O2 Zr2 -","2","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0264","0.0244","","","0.0655","0.0669","","","","","","1.004","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076097","9.118","0.001","10.196","0.001","11.842","0.001","78.07","0.01","73.09","0.01","81.5","0.01","1026.03","0.19","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H25 Cl2 N O Ti -","- C20.5 H25 Cl2 N O Ti -","- C41 H50 Cl4 N2 O2 Ti2 -","2","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0409","0.035","","","0.0917","0.0958","","","","","","0.98","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4076098","8.95","0.001","14.276","0.001","15.915","0.001","64.89","0.01","88.06","0.01","80.45","0.01","1814.2","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl2 N O Ti -","- C17 H21 Cl2 N O Ti -","- C68 H84 Cl8 N4 O4 Ti4 -","4","2","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0434","0.0343","","","0.0865","0.0919","","","","","","1.005","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076099","15.058","0.001","18.737","0.001","12.564","0.001","90","","114.18","0.01","90","","3233.8","0.5","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl2 N Ti -","- C14 H23 Cl2 N Ti -","- C112 H184 Cl16 N8 Ti8 -","8","2","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0953","0.0782","","","0.1881","0.196","","","","","","1.018","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076100","18.28","0.001","8.406","0.001","9.45","0.001","90","","90","","90","","1452.1","0.2","198","2","198","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H15 Cl2 N O Ti -","- C14 H15 Cl2 N O Ti -","- C56 H60 Cl8 N4 O4 Ti4 -","4","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0342","0.0311","","","0.0772","0.0788","","","","","","1.034","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076101","8.739","0.001","9.758","0.001","11.401","0.001","91.13","0.01","95.52","0.01","112.59","0.01","891.77","0.17","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H19 Cl2 N O Ti -","- C17.5 H19 Cl2 N O Ti -","- C35 H38 Cl4 N2 O2 Ti2 -","2","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.04","0.0354","","","0.0906","0.094","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076102","12.527","0.001","13.747","0.001","15.721","0.001","90","","90","","90","","2707.3","0.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl2 N Ti -","- C13 H13 Cl2 N Ti -","- C104 H104 Cl16 N8 Ti8 -","8","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.043","0.0313","","","0.0746","0.0801","","","","","","1.027","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076103","21.8924","0.0007","21.8924","0.0007","32.8309","0.0008","90","","90","","90","","15735.1","0.8","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H40 F12 Ir2 N8 P2 -","- C32 H40 F12 Ir2 N8 P2 -","- C512 H640 F192 Ir32 N128 P32 -","16","0.5","","Thewissen, Simone; Reijnders, Maike D. M.; Smits, Jan M. M.; de Bruin, Bas","Instability of Square Planar N3-Ligand Iridium(I) Ethene Complexes","Organometallics","2005","24","24","5964","","10.1021/om050594k","","","0.71073","MoKα","","0.0585","0.0436","","0.1142","0.1066","0.1142","","","1.029","","","1.029","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076104","12.0391","0.0014","15.756","0.002","14.3507","0.0018","90","","94.045","0.011","90","","2715.4","0.6","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 F6 Ir N3 O2 P -","- C25 H30 F6 Ir N3 O2 P -","- C100 H120 F24 Ir4 N12 O8 P4 -","4","1","","Thewissen, Simone; Reijnders, Maike D. M.; Smits, Jan M. M.; de Bruin, Bas","Instability of Square Planar N3-Ligand Iridium(I) Ethene Complexes","Organometallics","2005","24","24","5964","","10.1021/om050594k","","","0.71073","MoKα","","0.0531","0.0381","","0.1285","0.1092","0.1285","","","1.11","","","1.11","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076105","14.086","0.007","21.333","0.01","15.408","0.008","90","","109.958","0.007","90","","4352","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 B20 O2 Rh2 S4 W -","- C26 H50 B20 O2 Rh2 S4 W -","- C104 H200 B80 O8 Rh8 S16 W4 -","4","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.1182","0.0565","","","0.1227","0.1428","","","","","","1.044","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076106","27.721","0.009","13.841","0.005","25.617","0.009","90","","114.495","0.004","90","","8944","5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 B20 O2 Rh2 Se4 W -","- C26 H50 B20 O2 Rh2 Se4 W -","- C208 H400 B160 O16 Rh16 Se32 W8 -","8","2","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0993","0.0382","","","0.0564","0.0664","","","","","","0.723","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076107","18.071","0.003","12.41","0.002","15.353","0.003","90","","114.356","0.003","90","","3136.6","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 B5 Rh S -","- C11 H20 B5 Rh S -","- C88 H160 B40 Rh8 S8 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0659","0.0433","","","0.098","0.1076","","","","","","1.029","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076108","12.287","0.006","13.278","0.006","13.865","0.006","73.666","0.007","65.349","0.007","73.831","0.007","1938.9","1.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H37 B20 Cl2 O2 Rh S4 W -","- C17 H37 B20 Cl2 O2 Rh S4 W -","- C34 H74 B40 Cl4 O4 Rh2 S8 W2 -","2","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.1015","0.063","","","0.148","0.1614","","","","","","0.928","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076109","11.273","0.003","14.837","0.004","19.172","0.006","68.45","0.005","80.684","0.005","89.393","0.005","2939","1.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H25 B10 O6 Rh Se2 W -","- C18 H25 B10 O6 Rh Se2 W -","- C72 H100 B40 O24 Rh4 Se8 W4 -","4","2","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.1312","0.0535","","","0.0945","0.1107","","","","","","0.755","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076110","10.123","0.002","15.764","0.004","34.566","0.008","90","","90","","90","","5516","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 O5 Rh S2 -","- C17 H25 B10 Co2 O5 Rh S2 -","- C136 H200 B80 Co16 O40 Rh8 S16 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0756","0.0535","","","0.1034","0.1204","","","","","","1.172","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076111","10.129","0.002","16.048","0.004","34.604","0.008","90","","90","","90","","5625","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 O5 Rh Se2 -","- C17 H25 B10 Co2 O5 Rh Se2 -","- C136 H200 B80 Co16 O40 Rh8 Se16 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0672","0.0429","","","0.0802","0.0882","","","","","","1.059","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076112","15.708","0.0001","11.188","0.0001","24.834","0.0002","90","","90.417","0.001","90","","4364.24","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Cl N4 P Ru -","- C48 H64 Cl N4 P Ru -","- C192 H256 Cl4 N16 P4 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.0451","0.0336","","","0.0683","0.0725","","","","","","1.04","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076113","12.452","0.0001","22.015","0.0001","18.472","0.0001","90","","108.387","0.001","90","","4805.23","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cl3 N2 O P2 Ru -","- C53 H57 Cl3 N2 O P2 Ru -","- C212 H228 Cl12 N8 O4 P8 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.037","0.0307","","","0.0683","0.0707","","","","","","1.067","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076114","9.737","0.0002","13.1","0.0004","19.075","0.0005","75.405","0.001","86.082","0.001","69.051","0.001","2198.31","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H55 Cl N2 P2 Ru -","- C51 H55 Cl N2 P2 Ru -","- C102 H110 Cl2 N4 P4 Ru2 -","2","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.0801","0.0495","","","0.1087","0.1239","","","","","","1.051","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076115","9.718","0.0001","19.708","0.0003","22.873","0.0004","90","","90","","90","","4380.69","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H65 N4 O P Ru -","- C49 H65 N4 O P Ru -","- C196 H260 N16 O4 P4 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.0709","0.0444","","","0.077","0.0851","","","","","","1.028","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076116","9.093","0.0001","23.954","0.0003","20.592","0.0003","90","","91.258","0.001","90","","4484.14","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 N2 O P2 Ru -","- C52 H56 N2 O P2 Ru -","- C208 H224 N8 O4 P8 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.1381","0.0742","","","0.136","0.1531","","","","","","1.107","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076117","8.527","0.002","11.504","0.002","18.451","0.004","80.97","0.02","79.34","0.02","64.36","0.01","1597.5","0.6","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H48 Br N3 Ni O2 -","- C30.5 H47.5 Br N3 Ni O2 -","- C61 H95 Br2 N6 Ni2 O4 -","2","1","","Li, Wanfei; Sun, Hongmei; Chen, Muzi; Wang, Zhiguo; Hu, Dongmei; Shen, Qi; Zhang, Yong","Synthesis of Salicylaldiminato-Functionalized N-Heterocyclic Carbene Complex of Nickel(II) and Its Catalytic Activity for Styrene Polymerization","Organometallics","2005","24","24","5925","","10.1021/om050612y","","","0.7107","MoKα","","","0.074","","","","0.172","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076118","16.8447","0.0003","17.0707","0.0004","17.7094","0.0004","90","","90","","90","","5092.35","0.19","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0411","","","- C25 H34 Cl Fe Ga O2 -","- C25 H34 Cl Fe Ga O2 -","- C200 H272 Cl8 Fe8 Ga8 O16 -","8","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1327","0.0532","","","0.1076","0.1304","","","","","","1.031","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076119","15.2046","0.0004","19.8952","0.0005","20.2595","0.0007","90","","90","","90","","6128.5","0.3","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C30 H44 Cl Fe Ga O2 -","- C30 H45 Cl Fe Ga O2 -","- C240 H360 Cl8 Fe8 Ga8 O16 -","8","","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1121","0.0735","","","0.188","0.2062","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076120","15.0781","0.0004","20.5262","0.0006","20.4631","0.0008","90","","90","","90","","6333.2","0.4","180","2","180","2","","","","","","","","6","C m c a","-C 2ac 2","64","sa0516","","","- C30 H44 Br Fe In O2 -","- C30 H44 Br Fe In O2 -","- C240 H352 Br8 Fe8 In8 O16 -","8","","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0935","0.0517","","","0.1071","0.1206","","","","","","1.03","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076121","11.1946","0.0002","12.9307","0.0003","16.9269","0.0004","90","","90","","90","","2450.24","0.09","150","2","150","2","","","","","","","","6","P c n b","-P 2b 2ac","60","sa0401","","","- C24 H30 Cl Fe2 Ga O4 -","- C24 H30 Cl Fe2 Ga O4 -","- C96 H120 Cl4 Fe8 Ga4 O16 -","4","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0678","0.0486","","","0.0981","0.105","","","","","","1.088","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076122","13.434","0.0002","11.241","0.0002","17.013","0.0003","90","","94.136","0.001","90","","2562.47","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sa0511","","","- C24 H30 Fe2 Ga I O4 -","- C24 H30 Fe2 Ga I O4 -","- C96 H120 Fe8 Ga4 I4 O16 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0448","0.0321","","","0.0651","0.0701","","","","","","1.025","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076123","13.4349","0.0003","11.5133","0.0003","17.0644","0.0005","90","","94.34","0.001","90","","2631.95","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sa0422","","","- C24 H30 Fe2 I In O4 -","- C24 H30 Fe2 I In O4 -","- C96 H120 Fe8 I4 In4 O16 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0586","0.0401","","","0.0782","0.0846","","","","","","1.036","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076124","13.312","0.0002","11.3692","0.0001","16.9419","0.0002","90","","94.042","0.001","90","","2557.72","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sa0506","","","- C24 H30 Br Fe2 In O4 -","- C24 H30 Br Fe2 In O4 -","- C96 H120 Br4 Fe8 In4 O16 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0258","0.0226","","","0.0524","0.0538","","","","","","1.052","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076125","8.7885","0.0009","8.5803","0.0009","14.0831","0.0011","90","","90.052","0.009","90","","1061.98","0.18","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Fe2 Ga2 I2 O4 -","- C14 H10 Br2 Fe2 Ga2 I2 O4 -","- C28 H20 Br4 Fe4 Ga4 I4 O8 -","2","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0646","0.0608","","","0.2068","0.2108","","","","","","1.156","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076126","7.6338","0.0003","14.8212","0.0006","9.9594","0.0005","90","","90.796","0.002","90","","1126.72","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","sa0424","","","- C14 H10 Br2 Fe2 I2 In2 O4 -","- C14 H10 Br2 Fe2 I2 In2 O4 -","- C28 H20 Br4 Fe4 I4 In4 O8 -","2","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0592","0.0491","","","0.1179","0.1241","","","","","","1.142","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076127","7.92","0.0003","9.896","0.0003","15.26","0.0006","100.582","0.001","97.67","0.001","113.333","0.002","1050.98","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","sa0434","","","- C14 H10 Fe2 Ga I3 O4 -","- C14 H10 Fe2 Ga I3 O4 -","- C28 H20 Fe4 Ga2 I6 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0851","0.0503","","","0.1174","0.1331","","","","","","1.021","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076128","8.9422","0.0003","8.7431","0.0003","14.4917","0.0006","90","","90.301","0.001","90","","1132.98","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sa0505","","","- C14 H10 Fe2 Ga2 I4 O4 -","- C14 H10 Fe2 Ga2 I4 O4 -","- C28 H20 Fe4 Ga4 I8 O8 -","2","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0492","0.0424","","","0.1049","0.1087","","","","","","1.148","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076129","8.4507","0.0002","9.6929","0.0003","11.4642","0.0003","75.939","0.001","74.028","0.002","67.56","0.001","824.33","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","sa0423","","","- C24 H30 Fe2 Ga2 I4 O4 -","- C24 H30 Fe2 Ga2 I4 O4 -","- C24 H30 Fe2 Ga2 I4 O4 -","1","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0571","0.0408","","","0.0902","0.0977","","","","","","1.031","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076130","14.981","0.0002","21.521","0.0003","29.839","0.0004","90","","90","","90","","9620.3","0.2","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0510","","","- C37.5 H46.5 Cl3 Fe3 In2 O6 -","- C37.5 H45 Cl3 Fe3 In2 O6 -","- C300 H360 Cl24 Fe24 In16 O48 -","8","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0835","0.0527","","","0.1356","0.1499","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076131","16.5418","0.0002","19.4094","0.0003","14.5409","0.0003","90","","123.094","0.001","90","","3911.24","0.12","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","sa0428","","","- C16 H15 Fe Ga I2 N O2 -","- C16 H12 Fe Ga I2 N O2 -","- C128 H96 Fe8 Ga8 I16 N8 O16 -","8","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0873","0.07","","","0.2128","0.2299","","","","","","1.053","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076132","7.5598","0.0002","18.7946","0.0005","23.1101","0.0006","90","","90","","90","","3283.56","0.15","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0429","","","- C28 H20 Fe4 I2 In2 O8 -","- C28 H20 Fe4 I2 In2 O8 -","- C112 H80 Fe16 I8 In8 O32 -","4","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0888","0.0465","","","0.0852","0.098","","","","","","1.031","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076133","14.9751","0.0013","15.533","0.0015","14.5233","0.0015","90","","90","","90","","3378.2","0.6","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H43 Fe Ga I3 N O2 -","- C28 H43 Fe Ga I3 N O2 -","- C112 H172 Fe4 Ga4 I12 N4 O8 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0423","0.0339","","","0.0662","0.0696","","","","","","1.021","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076134","11.835","0.0002","12.208","0.0002","29.206","0.0006","90","","90","","90","","4219.73","0.13","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","sa0410","","","- C15 H10 Br2 Fe2 Ga I O5 -","- C15 H10 Br2 Fe2 Ga I O5 -","- C120 H80 Br16 Fe16 Ga8 I8 O40 -","8","2","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1203","0.0636","","","0.1528","0.1781","","","","","","1.017","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076135","9.3702","0.0002","12.7059","0.0003","23.7617","0.0006","90","","90","","90","","2828.99","0.11","150","2","150","2","","","","","","","","7","P m n b","-P 2bc 2a","62","sa0426","","","- C23 H33 Br3 Fe Ga N O2 -","- C23 H33 Br3 Fe Ga N O2 -","- C92 H132 Br12 Fe4 Ga4 N4 O8 -","4","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1155","0.1044","","","0.2837","0.2922","","","","","","1.183","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076136","14.442","0.003","15.004","0.003","15.541","0.003","66.25","0.03","71.75","0.03","75.17","0.03","2894.5","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H42 B F24 Fe2 Ga O4 -","- C56 H42 B F24 Fe2 Ga O4 -","- C112 H84 B2 F48 Fe4 Ga2 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.0599","0.0443","","","0.1038","0.1119","","","","","","1.019","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076137","14.5327","0.001","14.6439","0.001","16.2678","0.0013","65.829","0.003","68.927","0.003","74.823","0.003","2920.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","sa0507","","","- C56 H42 B F24 Fe2 In O4 -","- C56 H42 B F24 Fe2 In O4 -","- C112 H84 B2 F48 Fe4 In2 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.1812","0.0944","","","0.1918","0.2314","","","","","","1.019","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076138","13.744","0.003","14.521","0.003","21.345","0.004","99.44","0.03","97.12","0.03","95.59","0.03","4139.6","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H80 B Cl F24 Fe2 Ga2 O4 -","- C82 H80 B Cl F24 Fe2 Ga2 O4 -","- C164 H160 B2 Cl2 F48 Fe4 Ga4 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.0807","0.0512","","","0.1059","0.1175","","","","","","1.023","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076139","16.054","0.0003","16.294","0.0003","24.252","0.0006","90","","90","","90","","6343.9","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","sa0502","","","- C60 H50 B F24 Fe2 In O5 -","- C60 H50 B F24 Fe2 In O5 -","- C240 H200 B4 F96 Fe8 In4 O20 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.1226","0.0821","","","0.1815","0.2068","","","","","","1.023","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076140","9.004","0.0018","10.345","0.002","14.201","0.003","72.53","0.03","88.51","0.03","77.85","0.03","1232.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 N3 P Pt -","- C26 H38 N3 P Pt -","- C52 H76 N6 P2 Pt2 -","2","1","","Poverenov, Elena; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","C-Metalated Diazoalkane Complexes of Platinum Based on PCP- and PCN-Type Ligands","Organometallics","2005","24","24","5937","","10.1021/om050637x","","","0.71073","MoKα","","0.0515","0.0439","","","0.0914","0.0938","","","","","","1.019","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076141","11.148","0.002","13.935","0.003","14.683","0.003","78.16","0.03","82.35","0.03","89.33","0.03","2212.3","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 Cl P2 Pt -","- C20 H35 Cl P2 Pt -","- C80 H140 Cl4 P8 Pt4 -","4","2","","Poverenov, Elena; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","C-Metalated Diazoalkane Complexes of Platinum Based on PCP- and PCN-Type Ligands","Organometallics","2005","24","24","5937","","10.1021/om050637x","","","0.71073","MoKα","","0.0508","0.0378","","","0.1041","0.1104","","","","","","1.043","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076142","11.812","0.005","14.33","0.03","10.703","0.005","90","","120.42","0.05","90","","1562","4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 Pd -","- C14 H22 N4 Pd -","- C56 H88 N16 Pd4 -","4","0.5","","de Pater, Jeroen J. M.; Tromp, D. S.; Tooke, Duncan M.; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard; Elsevier, Cornelis J.","Palladium(0)-Alkene Bis(triarylphosphine) Complexes as Catalyst Precursors for the Methoxycarbonylation of Styrene","Organometallics","2005","24","26","6411","","10.1021/om0506419","","","0.71073","MoKα","","0.0434","0.0325","","","0.072","0.0753","","","","","","1.104","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076143","15.4325","0.001","15.4098","0.001","19.5915","0.0013","90","","97.853","0.001","90","","4615.4","0.5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C92 H100 B2 Cl8 F8 Ir2 O4 P4 Zr2 -","- C92 H96 B2 Cl8 F8 Ir2 O4 P4 Zr2 -","- C184 H192 B4 Cl16 F16 Ir4 O8 P8 Zr4 -","2","0.5","","Álvarez-Vergara, M. Carmen; Casado, Miguel A.; Martín, M. Luisa; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.","Flexible Building Blocks for Transition Metal Early−Late Chemistry. Synthesis of Heterobimetallic Tetranuclear Metallomacrocycles","Organometallics","2005","24","24","5929","","10.1021/om050644l","","","0.71073","MoKα","","0.0524","0.0425","","","0.1138","0.1178","","","","","","1.036","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076144","19.703","0.002","17.9741","0.0018","25.627","0.003","90","","110.236","0.002","90","","8515.5","1.6","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C88 H88 B2 Cl4 F8 O4 P4 Rh2 Zr2 -","- C88 H84 B2 Cl4 F8 O4 P4 Rh2 Zr2 -","- C352 H336 B8 Cl16 F32 O16 P16 Rh8 Zr8 -","4","1","","Álvarez-Vergara, M. Carmen; Casado, Miguel A.; Martín, M. Luisa; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.","Flexible Building Blocks for Transition Metal Early−Late Chemistry. Synthesis of Heterobimetallic Tetranuclear Metallomacrocycles","Organometallics","2005","24","24","5929","","10.1021/om050644l","","","0.71073","MoKα","","0.143","0.0963","","","0.2038","0.222","","","","","","1.147","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076145","7.4804","0.0013","7.7155","0.0013","13.743","0.003","85.591","0.012","88.926","0.015","80.568","0.018","780.1","0.3","162","2","162","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Cl2 Fe Hg2 O S -","- C12 H14 Cl2 Fe Hg2 O S -","- C24 H28 Cl4 Fe2 Hg4 O2 S2 -","2","1","","Venkatasubbaiah, Krishnan; Bats, Jan W.; Rheingold, Arnold L.; Jäkle, Frieder","Rational Synthesis and Complexation Behavior of the Bidentate Lewis Acid 1,2-Bis(chloromercury)ferrocene","Organometallics","2005","24","24","6043","","10.1021/om0506567","","","0.71073","MoKα","","0.0398","0.0295","","","0.0602","0.0631","","","","","","1.24","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076146","9.8089","0.0018","22.226","0.004","10.107","0.002","90","","99.354","0.019","90","","2174.2","0.7","161","2","161","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H52 Cl5 Fe2 Hg4 N -","- C36 H52 Cl5 Fe2 Hg4 N -","- C72 H104 Cl10 Fe4 Hg8 N2 -","2","1","","Venkatasubbaiah, Krishnan; Bats, Jan W.; Rheingold, Arnold L.; Jäkle, Frieder","Rational Synthesis and Complexation Behavior of the Bidentate Lewis Acid 1,2-Bis(chloromercury)ferrocene","Organometallics","2005","24","24","6043","","10.1021/om0506567","","","0.71073","MoKα","","0.0625","0.0483","","","0.0871","0.0923","","","","","","1.303","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4076147","10.1136","0.0013","22.411","0.003","21.073","0.003","90","","90.195","0.002","90","","4776.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 Cl8 Fe2 Hg4 P -","- C45 H37 Cl8 Fe2 Hg4 P -","- C180 H148 Cl32 Fe8 Hg16 P4 -","4","1","","Venkatasubbaiah, Krishnan; Bats, Jan W.; Rheingold, Arnold L.; Jäkle, Frieder","Rational Synthesis and Complexation Behavior of the Bidentate Lewis Acid 1,2-Bis(chloromercury)ferrocene","Organometallics","2005","24","24","6043","","10.1021/om0506567","","","0.71073","MoKα","","0.0607","0.0444","","","0.1029","0.1065","","","","","","1.055","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076148","27.357","0.0018","10.728","0.0007","18.6134","0.0012","90","","95.842","0.001","90","","5434.4","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H38 B9 N O Si Zr -","- C14 H38 B9 N O Si Zr -","- C112 H304 B72 N8 O8 Si8 Zr8 -","8","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes","Organometallics","2005","24","22","5217","","10.1021/om050658r","","","0.71073","MoKα","","0.085","0.0674","","","0.2041","0.2207","","","","","","1.106","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076149","27.5013","0.0015","10.6833","0.0006","18.5513","0.001","90","","96.034","0.001","90","","5420.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H38 B9 Hf N O Si -","- C14 H38 B9 Hf N O Si -","- C112 H304 B72 Hf8 N8 O8 Si8 -","8","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes","Organometallics","2005","24","22","5217","","10.1021/om050658r","","","0.71073","MoKα","","0.0749","0.0539","","","0.1537","0.1733","","","","","","1.215","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076150","9.6477","0.0004","12.7027","0.0005","24.763","0.0009","90","","98.534","0.001","90","","3001.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B9 Hf N O -","- C24 H36 B9 Hf N O -","- C96 H144 B36 Hf4 N4 O4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes","Organometallics","2005","24","22","5217","","10.1021/om050658r","","","0.71073","MoKα","","0.0634","0.0484","","","0.1608","0.1724","","","","","","1.128","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076151","9.841","0.0008","10.3306","0.0008","11.1206","0.0009","69.973","0.002","73.988","0.002","76.753","0.002","1009.57","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H56 B18 Cl4 N2 O4 Zr2 -","- C20 H56 B18 Cl4 N2 O4 Zr2 -","- C20 H56 B18 Cl4 N2 O4 Zr2 -","1","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes","Organometallics","2005","24","22","5217","","10.1021/om050658r","","","0.71073","MoKα","","0.0663","0.0499","","","0.1213","0.1353","","","","","","1.018","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076152","24.554","0.002","16.6859","0.0012","15.0022","0.0012","90","","100.265","0.003","90","","6048.1","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 Au3 Cl2 P3 -","- C70 H56 Au3 Cl2 P3 -","- C280 H224 Au12 Cl8 P12 -","4","1","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Jones, Peter G.","Gold(I) Complexes Derived from C6Me3(C⋮CH)3-1,3,5, C6Me4(C⋮CH)2-1,4, and MeC6H4C⋮CH-4§","Organometallics","2005","24","24","5956","","10.1021/om050665f","","","0.71073","MoKα","","0.0648","0.0343","","","0.0719","0.0806","","","","","","0.943","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076153","27.829","0.002","12.7529","0.0011","19.8249","0.0014","90","","133.93","0.004","90","","5067.1","0.8","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 Au N P2 -","- C66 H52 Au N P2 -","- C264 H208 Au4 N4 P8 -","4","0.5","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Jones, Peter G.","Gold(I) Complexes Derived from C6Me3(C⋮CH)3-1,3,5, C6Me4(C⋮CH)2-1,4, and MeC6H4C⋮CH-4§","Organometallics","2005","24","24","5956","","10.1021/om050665f","","","0.71073","MoKα","","0.0355","0.0264","","","0.0622","0.0645","","","","","","1.018","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076154","17.5277","0.0012","17.6004","0.0012","15.3303","0.0011","90","","115.354","0.004","90","","4273.8","0.5","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Au N P2 -","- C54 H44 Au N P2 -","- C216 H176 Au4 N4 P8 -","4","0.5","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Jones, Peter G.","Gold(I) Complexes Derived from C6Me3(C⋮CH)3-1,3,5, C6Me4(C⋮CH)2-1,4, and MeC6H4C⋮CH-4§","Organometallics","2005","24","24","5956","","10.1021/om050665f","","","0.71073","MoKα","","0.0239","0.0194","","","0.0436","0.0446","","","","","","1.015","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076155","11.444","0.005","21.805","0.009","16.029","0.007","90","","91.686","0.007","90","","3998","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl2 F6 O8 P2 Pd S2 -","- C31 H34 Cl2 F6 O8 P2 Pd S2 -","- C124 H136 Cl8 F24 O32 P8 Pd4 S8 -","4","1","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.0528","0.0383","","","0.0821","0.0907","","","","","","1.052","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076156","11.515","0.005","21.608","0.009","16.205","0.007","90","","93.602","0.006","90","","4024","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Cl3 F6 O8 P2 Pt S2 -","- C31 H33 Cl3 F6 O8 P2 Pt S2 -","- C124 H132 Cl12 F24 O32 P8 Pt4 S8 -","4","1","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.0662","0.0456","","","0.1158","0.1233","","","","","","1.063","","","","has coordinates,has disorder","301830","2025-08-20","13:17:23",""
"4076157","13.871","0.005","16.717","0.006","18.592","0.006","113.802","0.005","102.796","0.006","96.69","0.006","3743","2","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pd2 S4 -","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pd2 S4 -","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pd2 S4 -","1","0.5","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.1427","0.0672","","","0.1069","0.1203","","","","","","0.811","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076158","13.813","0.006","16.65","0.007","18.558","0.008","113.828","0.006","102.927","0.007","96.944","0.007","3697","3","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pt2 S4 -","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pt2 S4 -","- C102 H78 Cl18 Co4 F12 N4 O24 P4 Pt2 S4 -","1","0.5","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.1103","0.0629","","","0.1071","0.1156","","","","","","0.876","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076159","13.947","0.004","17.222","0.005","18.691","0.005","113.761","0.004","102.74","0.004","97.57","0.004","3883.5","1.9","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pd2 S4 -","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pd2 S4 -","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pd2 S4 -","1","0.5","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.165","0.0724","","","0.1927","0.2508","","","","","","0.996","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076160","13.927","0.005","16.983","0.006","18.688","0.007","113.92","0.006","102.869","0.006","97.178","0.007","3822","2","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pt2 S4 -","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pt2 S4 -","- C104 H80 As4 Cl24 Co4 F12 N4 O24 Pt2 S4 -","1","0.5","","Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei","Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2","Organometallics","2005","24","26","6464","","10.1021/om050668s","","","0.71073","MoKα","","0.1285","0.0611","","","0.1445","0.1815","","","","","","0.969","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076161","8.733","0.001","18.407","0.004","18.103","0.004","90","","93.03","0.01","90","","2906","1","213.2","","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F6 N O2 P Ru -","- C30 H36 F6 N O2 P Ru -","- C120 H144 F24 N4 O8 P4 Ru4 -","4","1","","Moriuchi, Akihiro; Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka","Photochromic Behavior and Diastereomeric Isomerism in [(η6-spirobenzopyran)RuCp*]PF6","Organometallics","2005","24","26","6382","","10.1021/om0506771","","","0.7107","MoKα","","","0.0474","","","","0.1349","","","","","","0.77","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076162","8.768","0.002","18.767","0.004","17.462","0.003","90","","93.71","0.01","90","","2867.3","1","213.2","","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 F6 N2 O3 P Ru -","- C29 H33 F6 N2 O3 P Ru -","- C116 H132 F24 N8 O12 P4 Ru4 -","4","1","","Moriuchi, Akihiro; Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka","Photochromic Behavior and Diastereomeric Isomerism in [(η6-spirobenzopyran)RuCp*]PF6","Organometallics","2005","24","26","6382","","10.1021/om0506771","","","0.7107","MoKα","","","0.0881","","","","0.2267","","","","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076163","20.34","0.01","8.751","0.006","17.114","0.008","90","","86.84","0.03","90","","3042","3","213.2","","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 F6 N O1.5 P Ru -","- C31 H25 F6 N O1.5 P Ru -","- C124 H100 F24 N4 O6 P4 Ru4 -","4","1","","Moriuchi, Akihiro; Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka","Photochromic Behavior and Diastereomeric Isomerism in [(η6-spirobenzopyran)RuCp*]PF6","Organometallics","2005","24","26","6382","","10.1021/om0506771","","","0.7107","MoKα","","","0.096","","","","0.2641","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076164","8.009","0.0002","22.4905","0.0006","31.5481","0.0009","90","","90","","90","","5682.6","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 Mg N4 O10 -","- C62 H78 Mg N4 O10 -","- C248 H312 Mg4 N16 O40 -","4","1","","Layfield, Richard A.; Humphrey, Simon M.","Synthesis and Structure of [trans-{1,2-Bis(κ2-O,O-N- phenylcarbamoyl)cyclopentadienylbis(thf)}magnesium]·4thf","Organometallics","2005","24","24","6063","","10.1021/om050680k","","","0.71073","MoKα","","0.175","0.0778","","","0.1191","0.1408","","","","","","0.941","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076165","17.4129","0.0004","21.1733","0.0005","26.7744","0.0006","90","","90","","90","","9871.4","0.4","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53 H81 Al N6 O -","- C53 H81 Al N6 O -","- C424 H648 Al8 N48 O8 -","8","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0586","0.0418","","","0.1057","0.1124","","","","","","1.036","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076166","14.476","0.003","22.773","0.005","18.766","0.004","90","","93.2","0.03","90","","6177","2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H79 Al N6 Si2 -","- C72 H79 Al N6 Si2 -","- C288 H316 Al4 N24 Si8 -","4","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0608","0.048","","","0.1183","0.1258","","","","","","1.025","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076167","12.9225","0.0006","16.5684","0.0008","19.7508","0.0009","102.657","0.004","99.836","0.004","99.243","0.004","3978.1","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H108 Al2 N18 Si2 -","- C73 H108 Al2 N18 Si2 -","- C146 H216 Al4 N36 Si4 -","2","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0837","0.0629","","","0.177","0.1925","","","","","","1.082","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076168","10.071","0.002","11.63","0.002","19.851","0.004","91.56","0.03","90.86","0.03","110.81","0.03","2171.8","0.8","200","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H68 Al N3 -","- C48 H68 Al N3 -","- C96 H136 Al2 N6 -","2","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0615","0.0495","","","0.1318","0.1464","","","","","","1.015","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076169","8.594","0.01","15.904","0.019","23.14","0.03","90","","99.04","0.02","90","","3123","7","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 Cl Cr N3 -","- C39 H31 Cl Cr N3 -","- C156 H124 Cl4 Cr4 N12 -","4","1","","Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert","Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst","Organometallics","2005","24","22","5214","","10.1021/om050699n","","","0.71073","MoKα","","0.1352","0.0592","","","0.1055","0.1233","","","","","","1.054","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076170","18.08","0.004","17.14","0.004","16.732","0.004","90","","90","","90","","5185","2","211","2","211","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C54.5 H52 Cr N5 O1.38 -","- C49 H41 Cr N5 -","- C196 H164 Cr4 N20 -","4","0.5","","Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert","Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst","Organometallics","2005","24","22","5214","","10.1021/om050699n","","","0.71073","MoKα","","0.0583","0.0518","","","0.1185","0.1223","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076171","18.88","0.1","22.13","0.12","11.15","0.06","90","","90","","90","","4659","4","211","2","211","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C51 H55 Cl Cr Li N3 O3 -","- C51 H56 Cl Cr Li N3 O4 -","- C204 H224 Cl4 Cr4 Li4 N12 O16 -","4","0.5","","Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert","Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst","Organometallics","2005","24","22","5214","","10.1021/om050699n","","","0.71073","MoKα","","0.1026","0.0633","","","0.1279","0.1428","","","","","","1.039","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076172","14.7669","0.0005","6.7673","0.0002","12.9333","0.0004","90","","106.888","0.002","90","","1236.71","0.07","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H16 N O3 -","- C52 H64 N4 O12 -","4","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex","Organometallics","2005","24","22","5424","","10.1021/om050701a","","","0.71073","MoKα","","0.14","0.1198","","","0.2871","0.3008","","","","","","1.219","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076173","8.899","0.003","17.9","0.005","11.32","0.004","90","","91.76","0.03","90","","1802.3","1","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cl2 O4 Ru S4 -","- C8 H24 Cl2 O4 Ru S4 -","- C32 H96 Cl8 O16 Ru4 S16 -","4","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex","Organometallics","2005","24","22","5424","","10.1021/om050701a","","","0.71073","MoKα","","0.057","0.047","","","0.1508","0.1726","","","","","","1.151","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076174","14.573","0.0006","6.488","0.0002","15.0405","0.0005","90","","118.336","0.002","90","","1251.68","0.08","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex","Organometallics","2005","24","22","5424","","10.1021/om050701a","","","0.71073","MoKα","","0.0849","0.0466","","","0.1253","0.1417","","","","","","1.001","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076175","12.8409","0.0002","12.3144","0.0002","11.4854","0.0002","90","","112.367","0.001","90","","1679.52","0.05","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O3 Ru -","- C19 H23 N O3 Ru -","- C76 H92 N4 O12 Ru4 -","4","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex","Organometallics","2005","24","22","5424","","10.1021/om050701a","","","0.71073","MoKα","","0.0402","0.0272","","","0.0607","0.0676","","","","","","1.048","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076176","14.631","0.002","14.429","0.002","17.559","0.002","90","","102.354","0.002","90","","3621.1","0.8","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H50 B Lu -","- C45.5 H46 B Lu -","- C182 H184 B4 Lu4 -","4","1","","Evans, William J.; Lee, David S.; Johnston, Matthew A.; Ziller, Joseph W.","The Elusive (C5Me4H)3Lu: Its Synthesis and LnZ3/K/N2Reactivity","Organometallics","2005","24","26","6393","","10.1021/om050709k","","","0.71073","MoKα","","0.025","0.0192","","","0.048","0.0511","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076177","15.123","0.005","13.951","0.005","25.662","0.008","90","","105.263","0.005","90","","5223","3","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Lu2 N2 O2 -","- C58 H82 Lu2 N2 O2 -","- C232 H328 Lu8 N8 O8 -","4","0.5","","Evans, William J.; Lee, David S.; Johnston, Matthew A.; Ziller, Joseph W.","The Elusive (C5Me4H)3Lu: Its Synthesis and LnZ3/K/N2Reactivity","Organometallics","2005","24","26","6393","","10.1021/om050709k","","","0.71073","MoKα","","0.0491","0.0439","","","0.1326","0.1362","","","","","","1.094","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076178","15.4695","0.0008","15.4695","0.0008","16.6565","0.0012","90","","90","","120","","3452","0.4","158","2","158","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H39 Lu -","- C27 H39 Lu -","- C162 H234 Lu6 -","6","0.333333","","Evans, William J.; Lee, David S.; Johnston, Matthew A.; Ziller, Joseph W.","The Elusive (C5Me4H)3Lu: Its Synthesis and LnZ3/K/N2Reactivity","Organometallics","2005","24","26","6393","","10.1021/om050709k","","","0.71073","MoKα","","0.0253","0.0244","","","0.0644","0.065","","","","","","1.221","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076179","10.01","0.006","11.712","0.008","12.614","0.008","76.691","0.013","87.738","0.011","87.513","0.013","1437.1","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Mn O4 -","- C15 H17 Mn O4 -","- C60 H68 Mn4 O16 -","4","2","","Cao, Lidong; Shen, Meihua; Li, Chaozhong","Indium-Mediated Alkyl Radical Addition to (η6-Arene)tricarbonylmanganese Complexes in Aqueous Media","Organometallics","2005","24","24","5983","","10.1021/om050721c","","","0.71073","MoKα","","0.1075","0.0523","","","0.0926","0.1134","","","","","","1.032","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076180","21.0382","0.001","9.7005","0.0005","9.9477","0.0005","90","","90","","90","","2030.14","0.18","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C21 H26 Ag Cl N2 -","- C21 H26 Ag Cl N2 -","- C84 H104 Ag4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0111","0.0111","","","0.0296","0.0297","","","","","","1.078","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076181","9.7788","0.0015","16.334","0.003","21.755","0.003","90","","101.986","0.004","90","","3399.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Ag Cl5 N2 -","- C29 H42 Ag Cl5 N2 -","- C116 H168 Ag4 Cl20 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.1006","0.0868","","","0.2239","0.2279","","","","","","0.983","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4076182","8.1431","0.0002","8.1431","0.0002","20.545","0.0008","90","","90","","90","","1362.34","0.07","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C11 H18 Ag Cl N2 -","- C11 H18 Ag Cl N2 -","- C44 H72 Ag4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0145","0.0144","","","0.0453","0.0453","","","","","","1.393","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076183","10.5104","0.0004","16.0633","0.0006","11.292","0.0004","90","","100.564","0.001","90","","1874.13","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Ag Cl N2 -","- C7 H12 Ag Cl N2 -","- C56 H96 Ag8 Cl8 N16 -","8","2","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0144","0.0142","","","0.0388","0.0389","","","","","","1.162","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076184","9.3033","0.0006","17.3304","0.0011","20.6786","0.0013","93.687","0.001","92.579","0.001","99.682","0.001","3274.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 Ag Cl N2 -","- C15 H24 Ag Cl N2 -","- C120 H192 Ag8 Cl8 N16 -","8","4","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0376","0.0319","","","0.0737","0.0756","","","","","","1.102","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076185","11.5347","0.0015","26.847","0.004","6.4849","0.0009","90","","90","","90","","2008.2","0.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H32 Ag Cl N2 -","- C23 H32 Ag Cl N2 -","- C92 H128 Ag4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0261","0.026","","","0.0657","0.0657","","","","","","1.177","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076186","19.1151","0.0012","17.1519","0.0011","17.3503","0.0011","90","","97.118","0.001","90","","5644.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 Ag Cl N2 -","- C11 H20 Ag Cl N2 -","- C176 H320 Ag16 Cl16 N32 -","16","4","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.1017","0.0879","","","0.1866","0.1904","","","","","","1.209","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076187","16.1296","0.0006","13.0986","0.0005","16.5205","0.0006","90","","116.799","0.001","90","","3115.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Ag Cl3 N2 -","- C28 H50 Ag Cl3 N2 -","- C112 H200 Ag4 Cl12 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0285","0.0264","","","0.06","0.0608","","","","","","1.04","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076188","7.305","0.0003","11.0525","0.0004","11.3905","0.0005","75.366","0.001","81.821","0.001","85.879","0.001","880.15","0.06","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C8.25 H8.25 Ag0.75 Cl0.75 N2.25 -","- C8.25 H8.25 Ag0.75 Cl0.75 N2.25 -","- C33 H33 Ag3 Cl3 N9 -","4","4","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0144","0.0143","","","0.036","0.0361","","","","","","1.025","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076189","17.0221","0.0011","14.0448","0.0009","17.2731","0.0011","90","","90","","90","","4129.5","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Ag Cl N2 -","- C21 H24 Ag Cl N2 -","- C168 H192 Ag8 Cl8 N16 -","8","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71069","MoKα","","0.0547","0.0403","","","0.1217","0.1334","","","","","","1.032","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076190","11.8323","0.0007","14.6993","0.0008","15.6755","0.0009","65.531","0.001","69.436","0.001","70.804","0.001","2269","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Ag3 I3 N4 -","- C42 H48 Ag3 I3 N4 -","- C84 H96 Ag6 I6 N8 -","2","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71069","MoKα","","0.0774","0.0472","","","0.1257","0.1418","","","","","","1.029","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076191","9.794","0.001","16.2939","0.0016","10.968","0.0011","90","","103.488","0.002","90","","1702","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28.86 H39.74 Ag Cl4.74 N2 -","- C28.857 H39.714 Ag Cl4.714 N2 -","- C57.714 H79.428 Ag2 Cl9.428 N4 -","2","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0544","0.0519","","","0.1295","0.1312","","","","","","1.075","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076192","11.169","","7.178","","28.218","","90","","90.36","","90","","2262.22","","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N3 O6 Pd -","- C21 H29 N3 O6 Pd -","- C84 H116 N12 O24 Pd4 -","4","2","","Kazi, Abul B.; Jones, Gavin D.; Vicic, David A.","Observed Instability of Bound Pybox Ligands towards Acetate Counterions","Organometallics","2005","24","24","6051","","10.1021/om050755k","","","0.7107","MoKα","","0.0811","0.0588","","","0.138","0.1659","","","","","","1.109","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076193","9.601","0.013","10.549","0.014","25.4","0.07","90","","90","","90","","2573","9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O6 Pd -","- C27 H25 N3 O6 Pd -","- C108 H100 N12 O24 Pd4 -","4","1","","Kazi, Abul B.; Jones, Gavin D.; Vicic, David A.","Observed Instability of Bound Pybox Ligands towards Acetate Counterions","Organometallics","2005","24","24","6051","","10.1021/om050755k","","","0.7107","MoKα","","0.1111","0.0814","","","0.1925","0.219","","","","","","1.162","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076194","8.0867","0.0008","27.518","0.003","9.3624","0.001","90","","94.033","0.002","90","","2078.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Cl N2 O Ti -","- C18 H33 Cl N2 O Ti -","- C72 H132 Cl4 N8 O4 Ti4 -","4","1","","Kissounko, Denis A.; Guzei, Ilia A.; Gellman, Samuel H.; Stahl, Shannon S.","Titanium(IV)-Mediated Conversion of Carboxamides to Amidines and Implications for Catalytic Transamidation","Organometallics","2005","24","22","5208","","10.1021/om050768y","","","0.71073","MoKα","","0.0566","0.0379","","","0.0948","0.1055","","","","","","1.021","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4076195","8.9874","0.0009","11.7443","0.0009","19.1979","0.0014","71.116","0.002","86.828","0.003","89.553","0.002","1914.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H53 Cl3 O3 Ti3 -","- C37 H53 Cl3 O3 Ti3 -","- C74 H106 Cl6 O6 Ti6 -","2","1","","Kissounko, Denis A.; Guzei, Ilia A.; Gellman, Samuel H.; Stahl, Shannon S.","Titanium(IV)-Mediated Conversion of Carboxamides to Amidines and Implications for Catalytic Transamidation","Organometallics","2005","24","22","5208","","10.1021/om050768y","","","0.71073","MoKα","","0.0538","0.042","","","0.1097","0.115","","","","","","1.04","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076196","7.9562","0.0016","8.0644","0.0016","20.959","0.004","80.86","0.003","88.888","0.003","83.757","0.003","1319.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H37 Cl N2 O2 Ti -","- C26 H31 Cl N2 O2 Ti -","- C52 H62 Cl2 N4 O4 Ti2 -","2","1","","Kissounko, Denis A.; Guzei, Ilia A.; Gellman, Samuel H.; Stahl, Shannon S.","Titanium(IV)-Mediated Conversion of Carboxamides to Amidines and Implications for Catalytic Transamidation","Organometallics","2005","24","22","5208","","10.1021/om050768y","","","0.71073","MoKα","","0.0862","0.0565","","","0.1321","0.1408","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076197","13.69","0.003","13.43","0.003","9.612","0.0019","90","","93.91","0.03","90","","1763.1","0.7","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C5.5 H9 B0.5 Cl N2 S Sn0.5 -","- C5.5 H9 B0.5 Cl N2 S Sn0.5 -","- C44 H72 B4 Cl8 N16 S8 Sn4 -","8","1","","Foreman, Mark R. St.-J.; Hill, Anthony F.; Smith, Matthew K.; Tshabang, Never","Novel Heterobimetallic Coordination of the H2B(mt)2Ligand: The Complex [Mo(SnMe2Cl)(CO)3{μ-S:κ3-H,S,S‘-H2B(mt)2}] (mt = methimazolyl)","Organometallics","2005","24","22","5224","","10.1021/om050778z","","","0.71073","MoKα","","0.0478","0.0385","","","0.0968","0.1028","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076198","9.66","0.0019","21.43","0.004","10.21","0.002","90","","96.6","0.03","90","","2099.6","0.7","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 B Cl Mo N4 O3 S2 Sn -","- C13 H18 B Cl Mo N4 O3 S2 Sn -","- C52 H72 B4 Cl4 Mo4 N16 O12 S8 Sn4 -","4","1","","Foreman, Mark R. St.-J.; Hill, Anthony F.; Smith, Matthew K.; Tshabang, Never","Novel Heterobimetallic Coordination of the H2B(mt)2Ligand: The Complex [Mo(SnMe2Cl)(CO)3{μ-S:κ3-H,S,S‘-H2B(mt)2}] (mt = methimazolyl)","Organometallics","2005","24","22","5224","","10.1021/om050778z","","","0.71073","MoKα","","0.0715","0.0422","","","0.0919","0.1054","","","","","","1.074","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076199","12.6741","0.0019","17.383","0.003","24.089","0.004","90","","97.102","0.003","90","","5266.4","1.5","211","2","211","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C102 H160 Fe2 Li2 N6 O8.5 -","- C102 H160 Fe2 Li2 N6 O8.5 -","- C204 H320 Fe4 Li4 N12 O17 -","2","1","","Scott, Jennifer; Gambarotta, Sandro; Korobkov, Ilia; Budzelaar, Peter H. M.","Reduction of (Diiminopyridine)iron: Evidence for a Noncationic Polymerization Pathway?","Organometallics","2005","24","26","6298","","10.1021/om0507833","","","0.71073","MoKα","","0.0803","0.0665","","","0.1626","0.1713","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076200","14.134","0.003","12.333","0.003","16.645","0.003","90","","95.55","0.03","90","","2887.9","1.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 B F15 Ti -","- C32 H14 B F15 Ti -","- C128 H56 B4 F60 Ti4 -","4","1","","Bach, Marc A.; Beweries, Torsten; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe; Bonrath, Werner","Reactions of 1-Titana- and 1-Zirconacyclopent-3-ynes with Tris(pentafluorophenyl)borane†","Organometallics","2005","24","24","5916","","10.1021/om0507880","","","0.71073","MoKα","","0.0895","0.0398","","","0.0711","0.0804","","","","","","0.817","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076201","11.918","0.002","16.028","0.003","18.801","0.004","90","","94.04","0.03","90","","3582.5","1.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 B F15 Zr -","- C42 H28 B F15 Zr -","- C168 H112 B4 F60 Zr4 -","4","1","","Bach, Marc A.; Beweries, Torsten; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe; Bonrath, Werner","Reactions of 1-Titana- and 1-Zirconacyclopent-3-ynes with Tris(pentafluorophenyl)borane†","Organometallics","2005","24","24","5916","","10.1021/om0507880","","","0.71073","MoKα","","0.045","0.031","","","0.0723","0.0772","","","","","","0.945","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076202","11.023","0.0008","11.207","0.001","12.7551","0.0008","72.3808","0.0007","67.497","0.005","81.613","0.001","1386.63","0.19","150.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H31.5 N O4 P Ru -","- C30.5 H31.5 N O4 P Ru -","- C61 H63 N2 O8 P2 Ru2 -","2","1","","Oshiki, Toshiyuki; Yamashita, Hitoshi; Sawada, Kensuke; Utsunomiya, Masaru; Takahashi, Kazunari; Takai, Kazuhiko","Dramatic Rate Acceleration by a Diphenyl-2-pyridylphosphine Ligand in the Hydration of Nitriles Catalyzed by Ru(acac)2Complexes","Organometallics","2005","24","26","6287","","10.1021/om050792b","","","0.7107","MoKα","","","0.0358","","","","0.0893","","","","","","1.691","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076203","10.224","0.001","10.799","0.002","17.946","0.003","75.998","0.01","88.433","0.01","81.196","0.006","1899.8","0.5","150.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 N2 O4 P2 Ru -","- C44 H42 N2 O4 P2 Ru -","- C88 H84 N4 O8 P4 Ru2 -","2","1","","Oshiki, Toshiyuki; Yamashita, Hitoshi; Sawada, Kensuke; Utsunomiya, Masaru; Takahashi, Kazunari; Takai, Kazuhiko","Dramatic Rate Acceleration by a Diphenyl-2-pyridylphosphine Ligand in the Hydration of Nitriles Catalyzed by Ru(acac)2Complexes","Organometallics","2005","24","26","6287","","10.1021/om050792b","","","0.7107","MoKα","","","0.034","","","","0.1095","","","","","","1.723","","","","has coordinates","301830","2025-08-20","13:17:23",""
"4076204","13.461","0.003","18.11","0.004","33.907","0.007","90","","95","0.03","90","","8234","3","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C84 H69 B2 Cl N12 O6 P2 Ru W2 -","- C84 H69 B2 Cl N12 O6 P2 Ru W2 -","- C336 H276 B8 Cl4 N48 O24 P8 Ru4 W8 -","4","1","","Dewhurst, Rian D.; Hill, Anthony F.; Smith, Matthew K.","Regioselective Dimetallapolycarbyl Hydrometalation","Organometallics","2005","24","26","6295","","10.1021/om050796g","","","0.71073","MoKα","","0.044","0.0279","","","0.0604","0.0671","","","","","","0.986","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076205","10.01","0.002","13.52","0.003","15.669","0.003","100.96","0.03","93.85","0.03","106.4","0.03","1980.7","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 O2 P2 Ru -","- C48 H38 O2 P2 Ru -","- C96 H76 O4 P4 Ru2 -","2","1","","Bartlett, Michael J.; Hill, Anthony F.; Smith, Matthew K.","A Bimetallic Complex Spanned by the C4H Ligand: Synthesis of [Cl(CO)2L2RuC⋮CCHCRuL2(η-C5H5)]PF6(L = PPh3)","Organometallics","2005","24","24","5795","","10.1021/om050800o","","","0.71073","MoKα","","0.0755","0.0448","","","0.1053","0.1223","","","","","","0.983","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076206","13.189","0.003","25.805","0.005","24.164","0.005","90","","90.13","0.03","90","","8224","3","173","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H83 Cl O2 P4 Ru2 -","- C101 H83 Cl O2 P4 Ru2 -","- C404 H332 Cl4 O8 P16 Ru8 -","4","1","","Bartlett, Michael J.; Hill, Anthony F.; Smith, Matthew K.","A Bimetallic Complex Spanned by the C4H Ligand: Synthesis of [Cl(CO)2L2RuC⋮CCHCRuL2(η-C5H5)]PF6(L = PPh3)","Organometallics","2005","24","24","5795","","10.1021/om050800o","","","0.71073","MoKα","","0.1045","0.0637","","","0.1313","0.1509","","","","","","1.065","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076207","12.196","0.0016","12.8102","0.0017","18.322","0.002","87.708","0.002","82.98","0.002","88.746","0.002","2838.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 B F24 O Os P -","- C56 H50 B F24 O Os P -","- C112 H100 B2 F48 O2 Os2 P2 -","2","1","","Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Reduction and C(sp2)−H Bond Activation of Ketones Promoted by a Cyclopentadienyl-Osmium- Dihydride-Dihydrogen Complex","Organometallics","2005","24","24","5989","","10.1021/om0508177","","","0.71073","MoKα","","0.0383","0.0347","","","0.0815","0.0832","","","","","","1.144","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076208","9.295","0.0006","9.3678","0.0006","11.035","0.0008","81.697","0.001","77.126","0.001","81.055","0.001","919.28","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H31 O Os P -","- C18 H31 O Os P -","- C36 H62 O2 Os2 P2 -","2","1","","Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Reduction and C(sp2)−H Bond Activation of Ketones Promoted by a Cyclopentadienyl-Osmium- Dihydride-Dihydrogen Complex","Organometallics","2005","24","24","5989","","10.1021/om0508177","","","0.71073","MoKα","","0.0253","0.0222","","","0.0437","0.0445","","","","","","0.99","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076209","8.9899","0.0008","11.2125","0.001","11.9126","0.0011","78.686","0.002","82.282","0.001","78.124","0.001","1146.71","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 B F4 O Os P -","- C22 H34 B F4 O Os P -","- C44 H68 B2 F8 O2 Os2 P2 -","2","1","","Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Reduction and C(sp2)−H Bond Activation of Ketones Promoted by a Cyclopentadienyl-Osmium- Dihydride-Dihydrogen Complex","Organometallics","2005","24","24","5989","","10.1021/om0508177","","","0.71073","MoKα","","0.0428","0.0333","","","0.0532","0.0552","","","","","","0.893","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076210","14.617","0.002","14.617","0.002","11.024","0.002","90","","90","","120","","2039.8","0.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Si4 Sn -","- C18 H48 Si4 Sn -","- C54 H144 Si12 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0168","0.0161","","","0.037","0.0371","","","","","","1.044","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076211","20.353","0.004","9.826","0.002","18.581","0.004","90","","113.82","0.03","90","","3399.5","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 Si4 Sn -","- C24 H60 Si4 Sn -","- C96 H240 Si16 Sn4 -","4","0.5","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0728","0.0605","","","0.1601","0.169","","","","","","1.048","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076212","14.714","0.002","14.714","0.002","10.906","0.002","90","","90","","120","","2044.8","0.5","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Ge Si4 -","- C18 H48 Ge Si4 -","- C54 H144 Ge3 Si12 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0371","0.0343","","","0.0766","0.0778","","","","","","1.023","","","","has coordinates","301830","2025-08-20","13:17:24",""
"4076213","16.149","0.002","16.149","0.002","22.881","0.005","90","","90","","120","","5167.7","1.4","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Ge Si7 -","- C18 H54 Ge0.994 Si7.006 -","- C108 H324 Ge5.964 Si42.036 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0372","0.0317","","","0.0851","0.0883","","","","","","1.134","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076214","16.222","0.002","16.222","0.002","23.099","0.005","90","","90","","120","","5264.2","1.5","233","2","233","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Si7 Sn -","- C18 H54 Si7 Sn -","- C108 H324 Si42 Sn6 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0402","0.0333","","","0.1006","0.1039","","","","","","1.113","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076215","16.176","0.002","16.176","0.002","22.921","0.005","90","","90","","120","","5194.1","1.5","253","2","253","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Ge2 Si6 -","- C18 H54 Ge2 Si6 -","- C108 H324 Ge12 Si36 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0336","0.0222","","","0.054","0.0557","","","","","","0.902","","","","has coordinates","301830","2025-08-20","13:17:24",""
"4076216","16.29","0.002","16.29","0.002","11.578","0.002","90","","90","","120","","2660.8","0.7","253","2","253","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C18 H54 Si6 Sn2 -","- C18 H54 Si6 Sn2 -","- C54 H162 Si18 Sn6 -","3","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0356","0.0345","","","0.0934","0.0939","","","","","","1.166","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076217","14.663","0.004","14.663","0.004","10.99","0.007","90","","90","","120","","2046.3","1.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Si4 Sn -","- C18 H48 Si4 Sn -","- C54 H144 Si12 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.05","0.049","","","0.1105","0.1108","","","","","","1.05","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076218","14.701","0.002","14.701","0.002","11.021","0.002","90","","90","","120","","2062.7","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H48 Ge Si3 Sn -","- C18 H48 Ge Si3 Sn -","- C54 H144 Ge3 Si9 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0154","0.0152","","","0.0367","0.0368","","","","","","0.893","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076219","16.257","0.002","16.257","0.002","11.58","0.002","90","","90","","120","","2650.5","0.6","233","2","233","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H54 Ge Si6 Sn -","- C18 H54 Ge Si6 Sn -","- C54 H162 Ge3 Si18 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0342","0.0265","","","0.0558","0.0576","","","","","","1.013","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076220","11.3248","0.0009","12.7779","0.001","13.6968","0.001","105.76","0.002","104.201","0.002","101.926","0.002","1768.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H106 B20 Er2 N2 Na2 O8 -","- C44 H106 B20 Er2 N2 Na2 O8 -","- C44 H106 B20 Er2 N2 Na2 O8 -","1","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0882","0.0586","","","0.1589","0.1775","","","","","","1.034","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076221","15.2362","0.0015","11.0743","0.0011","15.8856","0.0016","90","","95.219","0.002","90","","2669.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H66 B20 N10 Na2 Y2 -","- C28 H66 B20 N10 Na2 Y2 -","- C56 H132 B40 N20 Na4 Y4 -","2","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0491","0.032","","","0.0761","0.0813","","","","","","0.995","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076222","11.239","0.002","11.763","0.002","12.577","0.003","89.98","0.03","66.38","0.03","64.88","0.03","1350.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H90 B20 N2 Na2 O6 Y2 -","- C36 H90 B20 N2 Na2 O6 Y2 -","- C36 H90 B20 N2 Na2 O6 Y2 -","1","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0619","0.0572","","","0.1526","0.1572","","","","","","1.03","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076223","12.5836","0.0012","10.5013","0.001","18.4735","0.0017","90","","95.701","0.002","90","","2429.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H72 B20 N8 Na2 Y2 -","- C28 H72 B20 N8 Na2 Y2 -","- C56 H144 B40 N16 Na4 Y4 -","2","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0904","0.0529","","","0.1214","0.1305","","","","","","0.927","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4076224","12.558","0.0016","9.7328","0.0012","18.27","0.002","90","","98.648","0.003","90","","2207.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H60 B20 N4 Na2 O2 Y2 -","- C22 H50 B20 N4 Na2 O2 Y2 -","- C44 H100 B40 N8 Na4 O4 Y4 -","2","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0911","0.0621","","","0.1922","0.2109","","","","","","1.013","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076225","9.787","0.002","12.471","0.003","12.604","0.003","112.64","0.03","96.47","0.03","110.51","0.03","1274.1","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H76 B20 Er2 N4 Na2 O4 -","- C30 H76 B20 Er2 N4 Na2 O4 -","- C30 H76 B20 Er2 N4 Na2 O4 -","1","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0717","0.0578","","","0.1519","0.1621","","","","","","1.059","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076226","10.6328","0.0005","16.3658","0.0008","26.4922","0.0013","90","","100.298","0.001","90","","4535.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H128 B20 Er2 K2 N4 O12 -","- C68 H128 B20 Er2 K2 N4 O12 -","- C136 H256 B40 Er4 K4 N8 O24 -","2","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.1022","0.0548","","","0.1302","0.1573","","","","","","1.049","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076227","14.1272","0.0009","22.0377","0.0014","18.5255","0.0011","90","","90","","90","","5767.6","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H69 B20 Er2 Mg N11 -","- C30 H70 B20 Er2 Mg N11 -","- C120 H280 B80 Er8 Mg4 N44 -","4","0.5","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4468","","10.1021/om050417j","","","0.71073","MoKα","","0.0883","0.0647","","","0.1887","0.2113","","","","","","0.989","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4083942","9.4802","0.0013","11.8928","0.0017","23.244","0.004","80.341","0.009","80.978","0.011","73.924","0.01","2465.6","0.7","150.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Ge2 P2 Pt2 -","- C60 H50 Ge2 P2 Pt2 -","- C120 H100 Ge4 P4 Pt4 -","2","1","","Usui, Yoko; Hosotani, Sayaka; Ogawa, Aki; Nanjo, Masato; Mochida, Kunio","Successive Formation of Hydrido(germyl)platinum, Germaplatinacycle, and Germylene-Bridged Dinuclear Platinum Complexes from the Reaction of a Zerovalent Platinum Complex with α,ω-Dihydrodigermanes","Organometallics","2005","24","18","4337","","10.1021/om0503287","","","0.7107","MoKα","","","0.0736","","","","0.1864","","","","","","0.943","","","","has coordinates","301831","2025-08-20","13:52:25",""
"4083943","13.304","0.0008","13.7074","0.0008","15.135","0.0009","98.822","0.001","96.636","0.001","111.659","0.001","2489.9","0.3","201","2","201","2","","","","","","","","8","P -1","-P 1","2","","([RuCl(p-cymene)(phosphoramidite)]PF6","","- C55.5 H48 Cl4 F6 N O2 P2 Ru -","- C55.5 H48 Cl4 F6 N O2 P2 Ru -","- C111 H96 Cl8 F12 N2 O4 P4 Ru2 -","2","1","","Huber, Dominik; Kumar, P. G. Anil; Pregosin, Paul S.; Mezzetti, Antonio","An η2-Aryl−Metal Interaction Turns a Chiral Monodentate Phosphoramidite into a Chelating Ligand in (Sa,SRu,RC,RC)-[RuCl(η6-p-cymene) (O,O‘-(1,1‘-dinaphthyl-2,2‘-diyl)-N-(1-(1,2-η-1-naphthyl)ethyl)-N-(1-(1-naphthyl)ethyl)phosphoramidite-κP)]PF6","Organometallics","2005","24","22","5221","","10.1021/om050686+","","x-ray","0.71073","MoKα","","0.0447","0.0405","","","0.1079","0.1112","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083944","13.5697","0.0001","7.5837","0.0001","19.732","0.0002","90","","117.111","0.0004","90","","1807.47","0.03","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br4 Cl2 N2 P2 Pd -","- C34 H24 Br4 Cl2 N2 P2 Pd -","- C68 H48 Br8 Cl4 N4 P4 Pd2 -","2","0.5","","de Pater, Jeroen. J. M.; Maljaars, C. Elizabeth P.; de Wolf, Elwin; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; Elsevier, Cornelis J.; van Koten, Gerard","(Perfluoro)alkylsilyl-Substituted 2-[Bis(4-aryl)phosphino]pyridines: Synthesis and Comparison of Their Palladium Complexes in Methoxycarbonylation of Phenylacetylene in Regular Solvents and Supercritical CO2","Organometallics","2005","24","22","5299","","10.1021/om050479+","","","0.71073","MoKα","","0.0509","0.0393","","","0.0928","0.1","","","","","","1.077","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083946","20.7053","0.0004","20.7053","0.0004","13.531","0.0005","90","","90","","90","","5800.9","0.3","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C24 H84 B40 Si5 -","- C24 H84 B40 Si5 -","- C96 H336 B160 Si20 -","4","0.25","","Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds","Organometallics","2005","24","26","6351","","10.1021/om050651+","","x-ray","0.71073","Mokα","","0.1225","0.0768","","","0.17","0.1874","","","","","","1.099","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083947","13.9813","0.0005","17.6592","0.0005","12.7224","0.0004","90","","90","","90","","3141.14","0.17","173","2","173","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C28 H92 B40 Si5 -","- C28 H92 B40 Si5 -","- C56 H184 B80 Si10 -","2","0.5","","Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds","Organometallics","2005","24","26","6351","","10.1021/om050651+","","x-ray","0.71073","Mokα","","0.0922","0.0777","","","0.1952","0.2113","","","","","","1.054","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083948","12.7957","0.0001","18.2036","0.0002","33.0523","0.0005","90","","90","","90","","7698.8","0.16","173","2","173","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C48 H100 B40 Si5 -","- C48 H100 B40 Si5 -","- C192 H400 B160 Si20 -","4","1","","Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds","Organometallics","2005","24","26","6351","","10.1021/om050651+","","x-ray","0.71073","Mokα","","0.1062","0.0674","","","0.1028","0.1153","","","","","","1.051","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083949","13.6454","0.0008","6.9216","0.0002","18.1622","0.001","90","","107.739","0.002","90","","1633.82","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 B10 Si -","- C10 H22 B10 Si -","- C40 H88 B40 Si4 -","4","1","","Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds","Organometallics","2005","24","26","6351","","10.1021/om050651+","","x-ray","0.71073","Mokα","","0.0639","0.0423","","","0.1016","0.1108","","","","","","1.027","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083950","8.3713","0.0013","9.0861","0.0012","10.3104","0.0011","105.556","0.01","94.241","0.01","91.013","0.011","752.86","0.18","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Br Cr N2 O3 -","- C14 H13 Br Cr N2 O3 -","- C28 H26 Br2 Cr2 N4 O6 -","2","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71073","MoKα","","0.0488","0.0391","","","0.0944","0.0977","","","","","","0.983","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083951","5.9434","0.0013","17.6518","0.0013","14.7067","0.0015","90","","100.586","0.013","90","","1516.6","0.4","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br Cr N2 O3 -","- C15 H15 Br Cr N2 O3 -","- C60 H60 Br4 Cr4 N8 O12 -","4","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71073","MoKα","","0.0582","0.0401","","","0.0959","0.1016","","","","","","0.946","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083952","11.8561","0.0011","8.5321","0.0005","16.516","0.0013","90","","106.766","0.007","90","","1599.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Br Cr N O4 -","- C14 H18 Br Cr N O4 -","- C56 H72 Br4 Cr4 N4 O16 -","4","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71073","MoKα","","0.0769","0.0391","","","0.0637","0.0738","","","","","","0.968","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083953","17.232","0.005","11.169","0.004","12.166","0.002","90","","101.63","0.02","90","","2293.4","1.1","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br Cr N O6 S -","- C21 H24 Br Cr N O6 S -","- C84 H96 Br4 Cr4 N4 O24 S4 -","4","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71073","MoKα","","0.1232","0.0633","","","0.153","0.1854","","","","","","0.908","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083954","12.446","0.005","13.638","0.005","20.258","0.005","78.037","0.005","89.494","0.005","72.735","0.005","3207.2","1.9","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H60 Cl12 Cr2 N4 O6 Ru2 -","- C52 H60 Cl12 Cr2 N4 O6 Ru2 -","- C104 H120 Cl24 Cr4 N8 O12 Ru4 -","2","1","","Moret, Marc-Etienne; Chaplin, Adrian B.; Lawrence, Adrien K.; Scopelliti, Rosario; Dyson, Paul J.","Synthesis and Characterization of Organometallic Ionic Liquids and a Heterometallic Carbene Complex Containing the Chromium Tricarbonyl Fragment","Organometallics","2005","24","16","4039","","10.1021/om050283+","","","0.71069","MoKα","","0.188","0.0831","","","0.1669","0.2026","","","","","","0.868","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083955","12.6218","0.0005","13.3776","0.0005","14.3654","0.0005","92.678","0.001","91.051","0.001","109.958","0.001","2275.91","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O13 P Pt Ru5 -","- C38 H42 O13 P Pt Ru5 -","- C76 H84 O26 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties","Organometallics","2005","24","10","2419","2423","10.1021/om050175n","","","0.71073","MoKα","","0.0578","0.0454","","","0.1139","0.1227","","","","","","1.037","","","","has coordinates","181221","2020-10-21","18:00:00",""
"4083956","10.41","0.002","10.731","0.002","23.503","0.005","99.66","0.03","91.7","0.03","101.24","0.03","2533.4","0.9","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H46 Cl5 F3 Ir N2 O2.5 P2 -","- C50 H46 Cl5 F3 Ir N2 O2.5 P2 -","- C100 H92 Cl10 F6 Ir2 N4 O5 P4 -","2","1","","Doctorovich, Fabio; Di Salvo, Florencia; Escola, Natalia; Trápani, Cecilia; Shimon, Linda","Formation of Coordinated Nitrosamines by Reaction of K[IrCl5NO] with Primary Amines","Organometallics","2005","24","20","4707","","10.1021/om050457n","","","0.71073","MoKα","","0.086","0.0652","","","0.133","0.1416","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083957","10.706","0.002","21.686","0.004","21.954","0.004","90","","100.16","0.03","90","","5017.1","1.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H48 Cl5 Ir N2 O P2 -","- C55 H48 Cl5 Ir N2 O P2 -","- C220 H192 Cl20 Ir4 N8 O4 P8 -","4","1","","Doctorovich, Fabio; Di Salvo, Florencia; Escola, Natalia; Trápani, Cecilia; Shimon, Linda","Formation of Coordinated Nitrosamines by Reaction of K[IrCl5NO] with Primary Amines","Organometallics","2005","24","20","4707","","10.1021/om050457n","","","0.71073","MoKα","","0.0777","0.0481","","","0.1072","0.1173","","","","","","1.051","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083964","21.661","0.004","22.288","0.003","25.488","0.004","90","","95.487","0.019","90","","12249","3","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Eu F9 N6 O15.5 S3 -","- C43 H58 Eu F9 N6 O15.5 S3 -","- C344 H464 Eu8 F72 N48 O124 S24 -","8","2","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.2479","0.1598","","","0.3941","0.4256","","","","","","1.124","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083965","12.9384","0.0014","18.489","0.002","22.34","0.005","90","","90","","90","","5344.1","1.4","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H54 F9 La N6 O14 S3 -","- C41 H54 F9 La N6 O14 S3 -","- C164 H216 F36 La4 N24 O56 S12 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0505","0.0383","","","0.086","0.0896","","","","","","0.963","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083966","15.357","0.003","21.67","0.004","17.33","0.003","90","","101.962","0.003","90","","5642","1.8","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 F9 N6 O13 S3 Yb -","- C37 H46 F9 N6 O13 S3 Yb -","- C148 H184 F36 N24 O52 S12 Yb4 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.1499","0.1465","","","0.3951","0.3986","","","","","","2.123","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083967","48.157","0.007","9.5111","0.0014","15.123","0.002","90","","98.601","0.002","90","","6848.8","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C55 H72 Cl6 Eu2 N11 O6 -","- C55 H72 Cl6 Eu2 N11 O6 -","- C220 H288 Cl24 Eu8 N44 O24 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0595","0.0539","","","0.1425","0.1462","","","","","","1.125","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083968","15.0756","0.0007","48.534","0.002","9.6438","0.0004","90","","90","","90","","7056.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H69 Cl6 N9 O6 Yb2 -","- C51 H69 Cl6 N9 O6 Yb2 -","- C204 H276 Cl24 N36 O24 Yb8 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0651","0.0635","","","0.1839","0.1858","","","","","","1.117","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4085610","12.575","0.003","7.265","0.003","14.454","0.003","90","","98.53","0.02","90","","1305.9","0.7","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Rudler, Henri; Parlier, Andrée; del Pilar Peregrina, Maria; Vaissermann, Jacqueline","1,4- to 1,5-Homologation of Alkene-Carbene and Alkyne-Carbene Complexes of Chromium and Tungsten: The Clue to Reactivity","Organometallics","2005","24","1","1","3","10.1021/om0491286","","","0.71073","MoKα","","0.1153","0.058","","0.1212","0.0605","0.0605","","","","","","1.1923","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085611","8.271","0.003","19.028","0.006","9.753","0.0012","90","","102.38","0.02","90","","1499.2","0.8","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","2","","Rudler, Henri; Parlier, Andrée; del Pilar Peregrina, Maria; Vaissermann, Jacqueline","1,4- to 1,5-Homologation of Alkene-Carbene and Alkyne-Carbene Complexes of Chromium and Tungsten: The Clue to Reactivity","Organometallics","2005","24","1","1","3","10.1021/om0491286","","","0.71073","MoKα","","0.1372","0.0721","","0.1506","0.0739","0.0739","","","","","","1.1113","","","","has coordinates","301831","2025-08-20","13:52:27",""
"4085612","14.7596","0.0003","33.0204","0.0005","19.5277","0.0004","90","","98.6988","0.0005","90","","9407.7","0.3","113.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108 H123 O6 P3 -","- C108 H123 O6 P3 -","- C432 H492 O24 P12 -","4","1","","Obora, Yasushi; Liu, Yun Kui; Jiang, Li Hong; Takenaka, Kazuhiro; Tokunaga, Makoto; Tsuji, Yasushi","Iridium(I) and Rhodium(I) Cationic Complexes with Triphosphinocalix[6]arene Ligands: Dynamic Motion with Size-Selective Molecular Encapsulation","Organometallics","2005","24","1","4","6","10.1021/om049227j","","","0.7107","MoKα","","","0.052","","","","0.06","","","","","","1.425","","","","has coordinates","301831","2025-08-20","13:52:27",""
"4085613","33.75","0.011","20.155","0.006","20.504","0.007","90","","117.045","0.003","90","","12422","7","293.1","","","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C243 H286 B3 Cl6 F12 Ir3 O12 P6 -","- C243 H286 B3 Cl6 F12 Ir3 O12 P6 -","- C486 H572 B6 Cl12 F24 Ir6 O24 P12 -","2","0.5","","Obora, Yasushi; Liu, Yun Kui; Jiang, Li Hong; Takenaka, Kazuhiro; Tokunaga, Makoto; Tsuji, Yasushi","Iridium(I) and Rhodium(I) Cationic Complexes with Triphosphinocalix[6]arene Ligands: Dynamic Motion with Size-Selective Molecular Encapsulation","Organometallics","2005","24","1","4","6","10.1021/om049227j","","","0.7107","MoKα","","","0.062","","","","0.076","","","","","","1.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085614","13.3079","0.0015","15.8153","0.0018","18.952","0.002","90","","91.057","0.009","90","","3988.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-anti-(dmso)2Pt(2Tol)2","","","- C18 H26 O2 Pt S2 -","- C18 H26 O2 Pt S2 -","- C144 H208 O16 Pt8 S16 -","8","2","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.1122","0.0533","","","0.0948","0.1132","","","","","","0.999","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085615","7.85","0.0016","9.262","0.0019","16.002","0.003","90","","95.66","0.03","90","","1157.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-(dmso)2Pt(Mes)2","","- C22 H34 O2 Pt S2 -","- C22 H34 O2 Pt S2 -","- C44 H68 O4 Pt2 S4 -","2","0.5","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.0772","0.0707","","","0.1367","0.1374","","","","","","3.072","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4089329","13.9642","0.001","9.8676","0.0007","16.3474","0.0012","90","","112.533","0.001","90","","2080.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 N2 O3 Pd -","- C19 H32 N2 O3 Pd -","- C76 H128 N8 O12 Pd4 -","4","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0286","0.0256","","","0.066","0.0682","","","","","","1.016","","","","has coordinates,has disorder","243612","2020-10-21","18:00:00",""
"4089330","16.144","0.01","15.353","0.01","16.914","0.011","90","","90","","90","","4192","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N2 O3 Pd -","- C22 H30 N2 O3 Pd -","- C176 H240 N16 O24 Pd8 -","8","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0269","0.0227","","","0.0591","0.0622","","","","","","1.003","","","","has coordinates","243612","2020-10-21","18:00:00",""
"4089331","9.734","0.002","14.126","0.003","15.694","0.004","75.415","0.003","88.903","0.003","77.105","0.003","2034.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45 I O3 P2 Pd -","- C48 H45 I O3 P2 Pd -","- C96 H90 I2 O6 P4 Pd2 -","2","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0359","0.0307","","","0.0795","0.0826","","","","","","1.03","","","","has coordinates,has disorder","243612","2020-10-21","18:00:00",""
"4089332","10.138","0.004","13.78","0.005","27.372","0.01","90","","90","","90","","3824","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 I O3 P2 Pd -","- C39 H43 I O3 P2 Pd -","- C156 H172 I4 O12 P8 Pd4 -","4","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0339","0.0333","","","0.088","0.0884","","","","","","1.016","","","","has coordinates,has disorder","243612","2020-10-21","18:00:00",""
"4089333","9.9586","0.0018","22.852","0.004","8.9984","0.0016","90","","111.831","0.003","90","","1900.9","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C88 H88 O24 -","4","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0411","0.0371","","","0.1005","0.1041","","","","","","1.001","","","","has coordinates","301831","2025-08-20","13:52:32",""
"4089334","17.474","0.005","8.561","0.003","29.44","0.009","90","","90","","90","","4404","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C192 H200 N8 O56 -","8","2","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0364","0.0326","","","0.0846","0.0873","","","","","","1.004","","","","has coordinates,has disorder","301831","2025-08-20","13:52:32",""
"4089335","10.0363","0.0006","18.0314","0.0011","10.3864","0.0006","90","","113.968","0.001","90","","1717.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","RuCp(PPh~2~NHPh)~2~Cl (1a)","","","- C41 H37 Cl N2 P2 Ru -","- C41 H37 Cl N2 P2 Ru -","- C82 H74 Cl2 N4 P4 Ru2 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0168","0.0167","","","0.0442","0.0443","","","","","","1.02","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089336","11.005","0.002","21.85","0.003","20.272","0.003","90","","103.544","0.002","90","","4739","1.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","RuTp(PPh~2~NHPh)~2~Cl.CHCl~3~ (2a.CHCl3)","","","- C46 H43 B Cl4 N8 P2 Ru -","- C46.0019 H43 B Cl4 N8 P2 Ru -","- C184.008 H172 B4 Cl16 N32 P8 Ru4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.036","0.0291","","","0.0699","0.0738","","","","","","1.029","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089337","9.9429","0.0012","21.374","0.003","18.606","0.002","90","","98.61","0.002","90","","3909.6","0.8","297","2","297","2","","","","","","","","8","P 1 n 1 (a,b+1/4,c)","P -2yabc","7","RuCp(PPh~2~NHPh)~2~(eta^1^-OSO~2~CF~3~) (3)","","","- C42 H37 F3 N2 O3 P2 Ru S -","- C42 H37 F3 N2 O3 P2 Ru S -","- C168 H148 F12 N8 O12 P8 Ru4 S4 -","4","","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.045","0.0315","","","0.0688","0.0745","","","","","","1.002","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089338","11.142","0.0019","15.037","0.003","24.94","0.004","90","","100.654","0.003","90","","4106.5","1.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[RuCp(kappa^2^(P,P)-PPh~2~NHC~6~H~4~PPh~2~)(kappa^1^(N)-NH~2~Ph)] SbF~6~.solv (4.solv)","","","- C41 H37 F6 N2 P2 Ru Sb -","- C44.01 H37 F6 N2 P2 Ru Sb -","- C176.04 H148 F24 N8 P8 Ru4 Sb4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0735","0.0468","","","0.097","0.1076","","","","","","1.046","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089339","11.6571","0.0007","12.9967","0.0008","15.1889","0.0009","77.718","0.001","68.636","0.001","71.892","0.001","2024","0.2","300","2","300","2","","","","","","","","8","P -1","-P 1","2","[RuCp(=C(CH~2~Bu^n^)NHPPh~2~)(kappa^2^(P,P)-PPh~2~OPPh~2~)]CF~3~SO~3~ (9)","","","- C42 H42 F3 N O4 P2 Ru S -","- C42 H42 F3 N O4 P2 Ru S -","- C84 H84 F6 N2 O8 P4 Ru2 S2 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0444","0.0344","","","0.0853","0.0912","","","","","","1.014","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089340","19.82","0.04","8.626","0.015","23.59","0.04","90","","100.61","0.05","90","","3964","13","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[RuCp(=C(CH~2~Ph)NHPh)(PPh~2~NHPh)(kappa^1^(P)-PPh~2~O)] (10a)","","","- C49 H44 N2 O P2 Ru -","- C49 H44 N2 O P2 Ru -","- C196 H176 N8 O4 P8 Ru4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.2121","0.0905","","","0.1534","0.2007","","","","","","0.889","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089341","13.28","0.002","12.787","0.002","31.996","0.005","90","","100.455","0.003","90","","5343.1","1.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[CpRu(PPh~2~NHPh)~2~(=C=C=CPh~2~)]CF~3~SO~3~.CH~2~Cl~2~ (11.CH~2~Cl~2~)","","","- C58 H49 Cl2 F3 N2 O3 P2 Ru S -","- C57.73 H48.46 Cl1.993 F3 N2 O3 P2 Ru S -","- C230.92 H193.84 Cl7.972 F12 N8 O12 P8 Ru4 S4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.1245","0.0641","","","0.1525","0.1834","","","","","","1.012","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089342","11.403","0.002","17.341","0.004","31.492","0.007","90","","96.726","0.007","90","","6184","2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[RuTp(kappa^2^(C,P)=C(CH~2~Ph)N(Ph)PPh~2~) (kappa^1^(P)-PPh~2~NHPh)]SbF~6~.2C~6~H~5~F (14a.2C~6~H~5~F)","","","- C65 H58 B F8 N8 P2 Ru Sb -","- C65 H58 B F8 N8 P2 Ru Sb -","- C260 H232 B4 F32 N32 P8 Ru4 Sb4 -","4","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.2321","0.0874","","","0.193","0.2634","","","","","","0.956","","","","has coordinates","243613","2020-10-21","18:00:00",""
"4089343","12.8141","0.0005","13.9087","0.0006","18.1289","0.0007","86.685","0.001","69.964","0.001","62.774","0.001","2680.22","0.19","173","2","173","2","","","","","","","","10","P -1","-P 1","2","[RuTp(kappa^2^(C,P)=C(CH~2~C~6~H~4~Me)N(Pr^n^)PPh~2~) (kappa^1^(P)-PPh~2~NHPr^n^)]CF~3~SO~3~.CH~2~Cl~2~ (15b.CH~2~Cl~2~)","","","- C50 H56 B Cl2 F3 N8 O3 P2 Ru S -","- C50 H56 B Cl2 F3 N8 O3 P2 Ru S -","- C100 H112 B2 Cl4 F6 N16 O6 P4 Ru2 S2 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0303","0.0272","","","0.0714","0.0743","","","","","","1.042","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4089344","12.3228","0.0005","13.839","0.0005","17.7616","0.0007","79.91","0.001","83.886","0.001","63.82","0.001","2674.74","0.18","173","2","173","2","","","","","","","","9","P -1","-P 1","2","[RuTp(kappa^2^(C,P)=C(CH=CPh~2~)N(Pr^n^)PPh~2~) (kappa^1^(P)-PPh~2~NHPr^n^)]CF~3~SO3 (17)","","","- C55 H56 B F3 N8 O3 P2 Ru S -","- C54.9867 H56 B F2.9601 N8 O2.9601 P2 Ru S0.9867 -","- C109.973 H112 B2 F5.9202 N16 O5.9202 P4 Ru2 S1.9734 -","2","1","","Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl","Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes","Organometallics","2005","24","14","3561","","10.1021/om050247a","","","0.71073","MoKα","","0.0268","0.0249","","","0.0651","0.0667","","","","","","1.024","","","","has coordinates,has disorder","243613","2020-10-21","18:00:00",""
"4344384","11.787","","3.272","","9.971","","90","","115.68","","90","","346.569","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pd Ta2 S6","","- Pd S6 Ta2 -","- Pd S6 Ta2 -","- Pd2 S12 Ta4 -","2","0.25","","Keszler, D.A.; Squattrito, P.J.; Brese, N.E.; Ibers, J.A.; Maoyu, W.; Jiaxi, L.","New layered ternary chalcogenides: tantalum palladium sulfide (Ta2 Pd S6), tantalum palladium selenide (Ta2 Pd Se6), niobium palladium sulfide (Nb2 Pd S6), niobium palladium selenide (Nb2 Pd Se6).","Inorganic Chemistry","1985","24","","3063","3067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4503874","6.983","0.0016","18.348","0.004","11.578","0.003","90","","99.868","0.003","90","","1461.5","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu N4 O6 -","- C12 H18 Cu N4 O6 -","- C48 H72 Cu4 N16 O24 -","4","0.5","","Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Ohba, Tomonori; Kaneko, Katsumi; Kanoh, Hirofumi","Coordinated NH3-removal-induced hydrogen adsorption of Cu-complex crystals.","Langmuir : the ACS journal of surfaces and colloids","2008","24","1","170","174","10.1021/la701852x","","","0.71073","MoKα","","0.0548","0.049","","","0.1274","0.1344","","","","","","1.129","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503875","8.9632","0.0004","8.9632","0.0004","7.977","0.003","90","","90","","90","","640.9","0.2","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- H4 O9 P2 V -","- H4 O9 P2 V -","- H16 O36 P8 V4 -","4","0.25","","Sen, Rupam; Bera, Rajesh; Bhattacharjee, Ashis; Gütlich, Philipp; Ghosh, Soumen; Mukherjee, Alok K.; Koner, Subratanath","Oxo-vanadium(IV) dihydrogen phosphate: preparation, magnetic study, and heterogeneous catalytic epoxidation.","Langmuir : the ACS journal of surfaces and colloids","2008","24","11","5970","5975","10.1021/la7040086","","","0.71073","MoKα","","0.0544","0.0497","","","0.1158","0.1186","","","","","","1.166","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503876","13.8359","0.0003","13.9322","0.0002","30.3691","0.0005","90","","90","","90","","5854.09","0.18","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H92 Br2 O2 P4 Pt2 -","- C50 H92 Br2 O2 P4 Pt2 -","- C200 H368 Br8 O8 P16 Pt8 -","4","1","","Maran, Umamageswaran; Conley, Hiram; Frank, Markus; Arif, Atta M.; Orendt, Anita M.; Britt, David; Hlady, Vladimir; Davis, Robert; Stang, Peter J.","Giant micelles of organoplatinum(II) gemini amphiphiles.","Langmuir : the ACS journal of surfaces and colloids","2008","24","10","5400","5410","10.1021/la800136p","","","0.71073","MoKα","","0.0683","0.0439","","","0.0881","0.0996","","","","","","1.018","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503877","17.8553","0.0003","13.8624","0.0002","30.8478","0.0004","90","","105.614","0.0008","90","","7353.6","0.19","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H117 Br2 Cl O2 P4 Pt2 -","- C62.5 H117 Br2 Cl O2 P4 Pt2 -","- C250 H468 Br8 Cl4 O8 P16 Pt8 -","4","1","","Maran, Umamageswaran; Conley, Hiram; Frank, Markus; Arif, Atta M.; Orendt, Anita M.; Britt, David; Hlady, Vladimir; Davis, Robert; Stang, Peter J.","Giant micelles of organoplatinum(II) gemini amphiphiles.","Langmuir : the ACS journal of surfaces and colloids","2008","24","10","5400","5410","10.1021/la800136p","","","0.71073","MoKα","","0.0873","0.054","","","0.1164","0.1316","","","","","","1.026","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503878","19.6062","0.0015","18.0781","0.0013","48.041","0.004","90","","101.31","0.001","90","","16697","2","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 N4 O4 -","- C54 H40 N4 O4 -","- C864 H640 N64 O64 -","16","2","","Ikeda, Taichi; Asakawa, Masumi; Miyake, Koji; Goto, Midori; Shimizu, Toshimi","Scanning tunneling microscopy observation of self-assembled monolayers of strapped porphyrins.","Langmuir : the ACS journal of surfaces and colloids","2008","24","22","12877","12882","10.1021/la801508k","","","0.71073","MoKα","","0.0703","0.0482","","","0.1189","0.1318","","","","","","0.981","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4503879","13.8138","0.0006","18.9434","0.0008","19.3377","0.0008","73.568","0.001","79.139","0.001","79.197","0.001","4718.1","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H84 Cl3 N8 O8 Zn2 -","- C112 H84 Cl3 N8 O8 Zn2 -","- C224 H168 Cl6 N16 O16 Zn4 -","2","1","","Ikeda, Taichi; Asakawa, Masumi; Miyake, Koji; Goto, Midori; Shimizu, Toshimi","Scanning tunneling microscopy observation of self-assembled monolayers of strapped porphyrins.","Langmuir : the ACS journal of surfaces and colloids","2008","24","22","12877","12882","10.1021/la801508k","","","0.71069","MoKα","","0.0906","0.0639","","","0.1905","0.2135","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503880","10.4178","0.0001","18.8714","0.0002","24.8164","0.0003","94.0407","0.0005","101.205","0.0005","97.7243","0.0006","4718.97","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","Cone 5,11,17,23-Tetrakis(thioacetyl)-25,26,27,28-tetra-i-propoxycalix[4]arene","","- C48 H56 O8 S4 -","- C48 H56 O8 S4 -","- C192 H224 O32 S16 -","4","2","","Genorio, Bostjan; He, Tao; Meden, Anton; Polanc, Slovenko; Jamnik, Janko; Tour, James M.","Synthesis and self-assembly of thio derivatives of calix[4]arene on noble metal surfaces.","Langmuir : the ACS journal of surfaces and colloids","2008","24","20","11523","11532","10.1021/la802197u","","","0.71073","MoKα","","0.108","0.05","","0.068","","0.051","","","1.027","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4519480","16.594","0.0016","8.1331","0.0008","14.2527","0.0012","90","","111.488","0.004","90","","1789.9","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.87:0.43 chloride","","- C17 H27 Cl1.13 F0.87 N O -","- C17 H27 Cl1.13 F0.87 N O -","- C68 H108 Cl4.52 F3.48 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1551","0.098","","","0.2817","0.3441","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","291176","2024-04-11","20:12:49",""
"4519481","7.065","0.0008","8.3346","0.001","15.807","0.002","90","","97.369","0.006","90","","923.09","0.19","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.26:0.74 chloride hydrate","","- C17 H27.75 Cl1.73 F0.27 N O1.38 -","- C17 H27.74 Cl1.73 F0.27 N O1.37 -","- C34 H55.48 Cl3.46 F0.54 N2 O2.74 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.209","0.0944","","","0.2725","0.3641","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","291177","2024-04-11","20:13:02",""
"4519482","7.0843","0.0004","8.3389","0.0005","15.7617","0.001","90","","97.211","0.003","90","","923.76","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.29:0.71 chloride hydrate","","- C17 H27.78 Cl1.71 F0.29 N O1.39 -","- C17 H27.78 Cl1.709 F0.291 N O1.39 -","- C34 H55.56 Cl3.418 F0.582 N2 O2.78 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1151","0.081","","","0.229","0.2604","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","291178","2024-04-11","20:13:11",""
"4519483","7.1078","0.0005","8.3133","0.0007","15.8696","0.0013","90","","97.677","0.005","90","","929.32","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.44:0.56 chloride hydrate","","- C17.56 H29.15 Cl1.44 N O1.23 -","- C17.562 H29.15 Cl1.438 N O1.232 -","- C35.124 H58.3 Cl2.876 N2 O2.464 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1176","0.0779","","","0.2305","0.2698","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","291179","2024-04-11","20:13:20",""
"4519484","7.1262","0.0008","8.3024","0.0011","15.852","0.003","90","","97.639","0.009","90","","929.6","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.46:0.54 chloride hydrate","","- C17.53 H28.93 Cl1.47 N O1.16 -","- C17.536 H28.948 Cl1.464 N O1.17 -","- C35.072 H57.896 Cl2.928 N2 O2.34 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.2188","0.117","","","0.3253","0.4067","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","291180","2024-04-11","20:13:29",""
"4519485","7.1317","0.0006","8.316","0.0007","15.8471","0.0016","90","","97.653","0.005","90","","931.48","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.42:0.58 chloride hydrate","","- C17.58 H28.99 Cl1.41 N O1.12 -","- C17.582 H28.972 Cl1.418 N O1.113 -","- C35.164 H57.944 Cl2.836 N2 O2.226 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1397","0.0929","","","0.2795","0.3319","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","291181","2024-04-11","20:13:38",""
"4519486","7.1036","0.0005","8.3072","0.0006","15.8675","0.0012","90","","97.601","0.004","90","","928.13","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.54:0.46 chloride hydrate","","- C17.47 H29.05 Cl1.53 N O1.33 -","- C17.465 H29.051 Cl1.535 N O1.328 -","- C34.93 H58.102 Cl3.07 N2 O2.656 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0754","0.0639","","","0.1736","0.1856","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","291182","2024-04-11","20:13:47",""
"4519487","16.544","0.003","8.0887","0.0014","14.229","0.002","90","","112.288","0.008","90","","1761.9","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium chloride","","- C17 H27 Cl F N O -","- C17 H27 Cl F N O -","- C68 H108 Cl4 F4 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1425","0.0838","","","0.227","0.2766","","","","","","1.07","","","","has coordinates,has Fobs","291183","2024-04-11","20:13:56",""
"4519488","7.2009","0.0003","8.3544","0.0004","15.8855","0.0008","90","","97.19","0.002","90","","948.14","0.08","250","","250","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium chloride","","- C18 H30 Cl N O -","- C18 H30 Cl N O -","- C36 H60 Cl2 N2 O2 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1089","0.0965","","","0.2611","0.2918","","","","","","1.305","","","","has coordinates,has disorder,has Fobs","291184","2024-04-11","20:14:07",""
"4519489","7.1158","0.0004","8.3038","0.0006","16.0142","0.0011","90","","98.369","0.004","90","","936.17","0.11","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-bromophenyl)propoxy]propyl}piperidin-1-ium chloride hydrate","","- C17 H27.87 Br Cl N O1.43 -","- C17 H27.88 Br Cl N O1.44 -","- C34 H55.76 Br2 Cl2 N2 O2.88 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0799","0.0573","","","0.153","0.1701","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","291185","2024-04-11","20:18:28",""
"4519490","7.0858","0.0005","8.3344","0.0006","15.8777","0.0011","90","","98.09","0.004","90","","928.34","0.11","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","Pitolisant Hydrochloride","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium chloride hydrate","","- C17 H28.16 Cl2 N O1.58 -","- C17 H28.162 Cl2 N O1.581 -","- C34 H56.324 Cl4 N2 O3.162 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0896","0.0558","","","0.1394","0.1612","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","291186","2024-04-11","20:18:38",""
"4519491","16.7522","0.0011","8.105","0.0005","14.1526","0.0009","90","","110.046","0.004","90","","1805.2","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.55:0.45 chloride","","- C17 H27 Cl1.45 F0.55 N O -","- C17 H27 Cl1.453 F0.547 N O -","- C68 H108 Cl5.812 F2.188 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1094","0.068","","","0.1518","0.175","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","291187","2024-04-11","20:18:47",""
"4519492","16.6909","0.0009","8.0957","0.0004","14.1643","0.0007","90","","110.726","0.003","90","","1790.08","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.75:0.25 chloride","","- C17 H27 Cl1.24 F0.76 N O -","- C17 H27 Cl1.245 F0.755 N O -","- C68 H108 Cl4.98 F3.02 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1268","0.0728","","","0.173","0.2033","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","291188","2024-04-11","20:18:56",""
"5000004","7.617","0.001","6.982","0.001","5.142","0.001","90","","99.84","0.02","90","","269.44","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C8 H14 N2 O8 -","2","1","","Derissen, J. L.; Endeman, H. J.; Peerdeman, A. F.","The crystal and molecular structure of L-aspartic acid","Acta Crystallographica Section B","1968","24","10","1349","1354","10.1107/S0567740868004280","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:29",""
"5000118","5.47","0.01","5.47","0.01","12.18","0.02","90","","90","","90","","364.4","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Lead molybdate","Wulfenite","?","- Mo O4 Pb -","- Mo4 O16 Pb4 -","4","0.25","","Araki, T.","","Memoirs of the College of Science, University of Kyoto, Series B","1957","24","","155","160","","","","","","","0.2","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"6000379","10.041","","9.22","","10.469","","90","","91.6","","90","","968.82","","","","","","","","","","","","","7","I 1 2/a 1","","","","","","- C H6 Ga N3 O8 P2 Zn -","","","","","","Chippindale, A. M.; Cowley, A. R.; Peacock, K. J.","Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9); two microporous zinc-gallium phosphates with the gismondine structure","Microporous and Mesoporous Materials","1998","24","","133","141","10.1016/S1387-1811(98)00159-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000380","9.993","","14.525","","15.028","","90","","90","","90","","2181.29","","","","","","","","","","","","","7","F d d d","","","","","","- C4 H10 Ga N O8 P2 Zn -","","","","","","Chippindale, A. M.; Cowley, A. R.; Peacock, K. J.","Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9); two microporous zinc-gallium phosphates with the gismondine structure","Microporous and Mesoporous Materials","1998","24","","133","141","10.1016/S1387-1811(98)00159-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7051231","11.064","0.003","18.385","0.006","11.155","0.003","90","","110.465","0.015","90","","2125.8","1.1","105","","105","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H70 B K N4 O3 -","- C42 H50 B K N4 O3 -","- C84 H100 B2 K2 N8 O6 -","2","1","","Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.","Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior","New Journal of Chemistry","2000","24","6","393","398","10.1039/a906582b","","","0.71069","MoKα","","","0.094","","","","0.0904","","","","","","1.6176","","","","has coordinates,has disorder","210743","2020-10-21","18:00:00",""
"7051232","19.4597","0.0019","21.273","0.002","10.8452","0.0011","90","","90","","90","","4489.6","0.8","107","","107.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H80 B K N4 O4 -","- C46 H80 B K N4 O4 -","- C184 H320 B4 K4 N16 O16 -","4","1","","Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.","Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior","New Journal of Chemistry","2000","24","6","393","398","10.1039/a906582b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301851","2025-08-21","20:32:37",""
"7051233","12.445","0.005","17.492","0.007","11.194","0.004","93.05","0.02","115.304","0.019","69.3","0.02","2046.9","1.5","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H68 B K N4 O3 -","- C42 H68 B K N4 O3 -","- C84 H136 B2 K2 N8 O6 -","2","1","","Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.","Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior","New Journal of Chemistry","2000","24","6","393","398","10.1039/a906582b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301851","2025-08-21","20:32:37",""
"7051234","13.662","0.002","33.992","0.005","13.985","0.002","90","","119.107","0.007","90","","5674.1","1.6","109","","109","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 B N4 Tl -","- C30 H44 B N4 Tl -","- C240 H352 B8 N32 Tl8 -","8","4","","Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.","Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior","New Journal of Chemistry","2000","24","6","393","398","10.1039/a906582b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301851","2025-08-21","20:32:37",""
"7051235","17.7939","0.0009","14.3421","0.0009","11.9338","0.0005","90","","129.008","0.002","90","","2366.6","0.2","173","0.2","173","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H28 Cl N3 O10 -","- C22 H28 Cl N3 O10 -","- C88 H112 Cl4 N12 O40 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","","","","","","","","","","","","","","","","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051236","17.84","0.001","14.251","0.001","12.3267","0.0006","90","","129.535","0.003","90","","2417","0.2","173","0.2","173","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H28 Cl N O10 S -","- C23 H28 Cl N O10 S -","- C92 H112 Cl4 N4 O40 S4 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210947","2020-10-21","18:00:00",""
"7051237","9.799","0.0002","37.641","0.001","12.3724","0.0003","90","","93.016","0.001","90","","4557.17","0.19","173","0.2","173","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 Cl N2 O10 -","- C19 H29 Cl N2 O10 -","- C152 H232 Cl8 N16 O80 -","8","2","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","","","","","","","","","","","","","","","","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051238","15.8297","0.0003","10.8577","0.0003","16.0071","0.0005","90","","93.859","0.002","90","","2744.97","0.13","173","0.2","173","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cl2 N4 O14 -","- C18 H34 Cl2 N4 O14 -","- C72 H136 Cl8 N16 O56 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","","","","","","","","","","","","","","","","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051239","8.392","0.001","12.611","0.002","25.993","0.005","90","","90","","90","","2750.9","0.8","173","0.2","173","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl N2 O11 -","- C25 H33 Cl N2 O11 -","- C100 H132 Cl4 N8 O44 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301851","2025-08-21","20:32:37",""
"7051240","22.0361","0.0001","22.0361","0.0001","17.0005","0.0002","90","","90","","90","","8255.27","0.11","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C85.5 H126.5 Cl N4.5 O12 -","- C85.526 H124 Cl0.948 N4.526 O12 -","- C342.104 H496 Cl3.792 N18.104 O48 -","4","0.25","","Schmidt, Christian; Paulus, Erich F.; Böhmer, Volker; Vogt, Walter","Selective derivatisation of resorcarenes. Part 5. Acylation of tetrabenzoxazine derivatives","New Journal of Chemistry","2000","24","3","123","","10.1039/a907622k","","","0.71073","MoKα","","0.0931","0.0787","","","0.2197","0.2349","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051241","7.9985","0.001","8.9047","0.0011","16.614","0.002","90","","92.18","0.01","90","","1182.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43 Cl N2 P2 Ru -","- C18 H42 Cl N2 P2 Ru -","- C36 H84 Cl2 N4 P4 Ru2 -","2","0.5","","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","","","0.71073","MoKα","","0.0625","0.0346","","0.0778","0.0675","","","","0.918","0.955","0.955","","","","","has coordinates,has disorder","210948","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",""
"7051243","27.512","0.004","27.5123","","25.092","0.003","90","","90","","120","","16448","3","296.2","","296.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38 H33.5 N6 Ni O4.75 S2 -","- C38 H32 N6 Ni O4.5695 S2 -","- C684 H576 N108 Ni18 O82.251 S36 -","18","1","","Bermejo, Manuel R.; Sousa, Antonio; Fondo, Matilde; Helliwell, Madeleine","Rearrangement and co-ordination of 1-[(4-methylphenyl)- sulfonamido]-2-[1-(2-pyridylmethylidene)amino]benzene","New Journal of Chemistry","2000","24","1","33","","10.1039/a907731f","","","1.5418","CuKα","","0.1707","0.0699","","0.0559","0.0489","","","","1.619","2.012","2.012","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7051244","9.9076","0.0001","14.6999","0.0002","19.0506","0.0002","90","","101.7","","90","","2716.9","0.05","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 N2 O P2 Pd -","- C27 H26 Cl2 N2 O P2 Pd -","- C108 H104 Cl8 N8 O4 P8 Pd4 -","4","1","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Derek Woollins, J.","Phosphino-urea chemistry: preparation and structure of chelate and P‒N bond cleavage complexes","New Journal of Chemistry","2000","24","2","69","","10.1039/a908153d","","","0.71073","MoKα","","0.039","0.0263","","0.069","0.0576","","","","0.964","0.985","0.985","","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051245","11.4044","0.0005","11.5628","0.0005","11.9275","0.0005","69.23","","71.929","0.001","74.871","0.001","1377.76","0.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H23 Cl5 N2 O P Pt S2 -","- C18 H23 Cl5 N2 O P Pt S2 -","- C36 H46 Cl10 N4 O2 P2 Pt2 S4 -","2","1","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Derek Woollins, J.","Phosphino-urea chemistry: preparation and structure of chelate and P‒N bond cleavage complexes","New Journal of Chemistry","2000","24","2","69","","10.1039/a908153d","","","0.71073","MoKα","","0.1161","0.0503","","0.3141","0.1149","","","","0.622","0.654","0.654","","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051246","11.6946","0.0003","15.4866","0.0004","18.5407","0.0003","76.184","0.001","71.834","0.001","72.806","0.001","3007.91","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H58 Cl4 N4 O5 P4 Pd2 -","- C56 H58 Cl4 N4 O5 P4 Pd2 -","- C112 H116 Cl8 N8 O10 P8 Pd4 -","2","1","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Derek Woollins, J.","Phosphino-urea chemistry: preparation and structure of chelate and P–N bond cleavage complexes","New Journal of Chemistry","2000","24","2","69","","10.1039/a908153d","","","0.71073","MoKα","","0.0666","0.043","","0.1503","0.113","","","","1.022","1.072","1.072","","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051247","8.8316","0.0002","5.9003","0.0001","15.6123","0.0004","90","","90","","90","","813.54","0.03","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","trans-1,4-Diethynyl-1,4-dihydroxy-2,5-cyclohexadiene","trans-1,4-Diethynyl-1,4-dihydroxy-2,5-cyclohexadiene","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","0.5","","Laxmi Madhavi, N. N.; Bilton, Clair; Howard, Judith A. K.; Allen, Frank H.; Nangia, Ashwini; Desiraju, Gautam R.","Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family","New Journal of Chemistry","2000","24","1","1","","10.1039/a908233f","","","0.71073","MoKα","","0.041","0.0358","","","0.088","0.0947","","","","","","1.097","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051248","8.7684","0.0018","8.9558","0.0018","10.315","0.002","113.78","0.03","102.06","0.03","102.59","0.03","682.3","0.4","150","","150","","","","","","","","","3","P -1","-P 1","2","trans-9,10-Diethynyl-9,10-dihydroxy-9,10-dihydroanthracene","trans-9,10-Diethynyl-9,10-dihydroxy-9,10-dihydroanthracene","","- C18 H12 O2 -","- C18 H12 O2 -","- C36 H24 O4 -","2","1","","Laxmi Madhavi, N. N.; Bilton, Clair; Howard, Judith A. K.; Allen, Frank H.; Nangia, Ashwini; Desiraju, Gautam R.","Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family","New Journal of Chemistry","2000","24","1","1","","10.1039/a908233f","","","0.71073","MoKα","","0.0973","0.054","","","0.1084","0.133","","","","","","1.05","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051249","10.8247","0.0003","22.6384","0.0008","10.4783","0.0003","90","","118.185","0.001","90","","2263.28","0.12","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","trans-1,4-Diethynyl-1,4-dihydroxy-1,4-dihydronaphthalene","trans-1,4-Diethynyl-1,4-dihydroxy-1,4-dihydronaphthalene","","- C14 H10 O2 -","- C14 H10 O2 -","- C112 H80 O16 -","8","2","","Laxmi Madhavi, N. N.; Bilton, Clair; Howard, Judith A. K.; Allen, Frank H.; Nangia, Ashwini; Desiraju, Gautam R.","Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family","New Journal of Chemistry","2000","24","1","1","","10.1039/a908233f","","","0.71073","MoKα","","0.1083","0.0596","","","0.1401","0.1597","","","","","","0.983","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051250","16.5","0.001","28.983","0.003","17.292","0.002","90","","109.52","0.01","90","","7794.1","1.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H105 B Na O13 -","- C86 H102.346 B Na O13 -","- C344 H409.384 B4 Na4 O52 -","4","1","","Wickens, Joanna; Dryfe, Robert A. W.; Mair, Francis S.; Pritchard, Robin G.; Hayes, Roy; Arrigan, Damien W. M.","Calixarene-facilitated transfer of alkali metal ions across the polarised liquid‒liquid interface","New Journal of Chemistry","2000","24","3","149","","10.1039/a908257c","","","0.71073","MoKα","","0.202","0.0799","","","0.1277","0.1631","","","","","","0.935","","","","has coordinates,has disorder","180066","2020-10-21","18:00:00",""
"7051251","14.274","0.0008","14.214","0.0006","15.104","0.0006","90","","90","","90","","3064.5","0.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl8 Gd6 H72 O73 -","- Cl8 Gd6 O73 -","- Cl16 Gd12 O146 -","2","0.125","","Zhang, Da-Shun; Ma, Bao-Qing; Jin, Tian-Zhu; Gao, Song; Yan, Chun-Hua; Mak, Thomas C. W.","Oxo-centered regular octahedral lanthanide clusters","New Journal of Chemistry","2000","24","2","61","","10.1039/a908471a","","","0.71073","MoKα","","0.0793","0.0702","","","0.1726","0.1746","","","","","","1.194","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051252","14.5147","0.0007","14.5079","0.0007","15.2546","0.0008","90","","90","","90","","3212.3","0.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl8 H72 Nd6 O73 -","- Cl8 Nd6 O73 -","- Cl16 Nd12 O146 -","2","0.125","","Zhang, Da-Shun; Ma, Bao-Qing; Jin, Tian-Zhu; Gao, Song; Yan, Chun-Hua; Mak, Thomas C. W.","Oxo-centered regular octahedral lanthanide clusters","New Journal of Chemistry","2000","24","2","61","","10.1039/a908471a","","","0.71073","MoKα","","0.0445","0.0322","","","0.0827","0.0889","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051253","18.628","0.019","11.548","0.013","19.43","0.02","90","","93.1","0.01","90","","4174","8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 Cl4 N O3 P2 Pd -","- C43 H35 Cl4 N O3 P2 Pd -","- C172 H140 Cl16 N4 O12 P8 Pd4 -","4","1","","Susana M. O. Quintal; Helena I. S. Nogueira; Vitor Félix; Michael G. B. Drew","Coordination modes of 3-hydroxypicolinic acid: synthesis and crystal structures of palladium(II), platinum(II) and rhenium(V) complexes","New J. Chem.","2000","24","7","511","517","10.1039/a908560b","","","0.71073","MoKα","","0.0887","0.0588","","","0.1554","0.1834","","","","","","0.836","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051254","11.002","0.014","12.641","0.014","16.825","0.018","112.24","0.01","93.52","0.01","104.51","0.01","2065","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H35 Cl4 N O3 P2 Pt -","- C43 H35 Cl4 N O3 P2 Pt -","- C86 H70 Cl8 N2 O6 P4 Pt2 -","2","1","","Susana M. O. Quintal; Helena I. S. Nogueira; Vitor Félix; Michael G. B. Drew","Coordination modes of 3-hydroxypicolinic acid: synthesis and crystal structures of palladium(II), platinum(II) and rhenium(V) complexes","New J. Chem.","2000","24","7","511","517","10.1039/a908560b","","","0.71073","MoKα","","0.0631","0.0438","","","0.0986","0.106","","","","","","1.08","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051255","8.116","0.009","15.241","0.017","21.061","0.024","90","","100.17","0.01","90","","2564","5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 I2 N O4 P Re -","- C24 H19 I2 N O4 P Re -","- C96 H76 I8 N4 O16 P4 Re4 -","4","1","","Susana M. O. Quintal; Helena I. S. Nogueira; Vitor Félix; Michael G. B. Drew","Coordination modes of 3-hydroxypicolinic acid: synthesis and crystal structures of palladium(II), platinum(II) and rhenium(V) complexes","New J. Chem.","2000","24","7","511","517","10.1039/a908560b","","","0.71073","MoKα","","0.0625","0.0431","","","0.1139","0.125","","","","","","1.088","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051256","10.7727","0.0014","7.5924","0.0009","21.775","0.003","90","","90","","90","","1781","0.4","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,10-Dihydrophenazine","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","1","","Thalladi, Venkat R.; Smolka, Tanja; Gehrke, Annette; Boese, Roland; Sustmann, Reiner","Role of weak hydrogen bonds in the crystal structures of phenazine, 5,10-dihydrophenazine and their 1:1 and 3:1 molecular complexes","New Journal of Chemistry","2000","24","3","143","","10.1039/a908744c","","","0.71073","MoKα","","0.0441","0.0349","","","0.0953","0.1017","","","","","","1.004","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051257","11.6466","0.0003","6.2335","0.0002","12.5573","0.0005","90","","97.612","0.002","90","","903.61","0.05","300","2","300","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","1:1 molecular complex of phenazine and 5,10-dihydrophenazine","","","- C24 H18 N4 -","- C24 H18 N4 -","- C48 H36 N8 -","2","0.25","","Thalladi, Venkat R.; Smolka, Tanja; Gehrke, Annette; Boese, Roland; Sustmann, Reiner","Role of weak hydrogen bonds in the crystal structures of phenazine, 5,10-dihydrophenazine and their 1:1 and 3:1 molecular complexes","New Journal of Chemistry","2000","24","3","143","","10.1039/a908744c","","","0.71073","MoKα","","0.062","0.0564","","","0.1517","0.1579","","","","","","1.104","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051258","9.0262","0.0015","9.6761","0.0015","11.2416","0.0018","72.522","0.002","80.196","0.003","77.597","0.003","908.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3:1 molecular complex of phenazine and 5,10-dihydrophenazine","","","- C48 H34 N8 -","- C48 H34 N8 -","- C48 H34 N8 -","1","0.5","","Thalladi, Venkat R.; Smolka, Tanja; Gehrke, Annette; Boese, Roland; Sustmann, Reiner","Role of weak hydrogen bonds in the crystal structures of phenazine, 5,10-dihydrophenazine and their 1:1 and 3:1 molecular complexes","New Journal of Chemistry","2000","24","3","143","","10.1039/a908744c","","","0.71073","MoKα","","0.1112","0.0629","","","0.1579","0.2075","","","","","","1.013","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051259","10.8328","0.0012","24.56","0.002","17.0067","0.0015","90","","101.074","0.012","90","","4440.4","0.7","297","2","297","2","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 F6 N P3 Ru -","- C44 H40 F6 N P3 Ru -","- C176 H160 F24 N4 P12 Ru4 -","4","1","","H. Brunner; C. Valério; M. Zabel","Optically active transition metal complexes. Part 123: new chiral half-sandwich ruthenium complexes, in which the arene ligand is tethered to a PN ligand","New J. Chem.","2000","24","5","275","279","10.1039/a909262e","","","0.71073","MoKα","","0.1849","0.0573","","","0.1154","0.1536","","","","","","0.843","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051260","10.9743","0.0011","12.4718","0.0014","21.493","0.003","92.052","0.014","94.429","0.014","91.384","0.013","2930","0.6","297","2","297","2","","","","","","","see text","7","P -1","-P 1","2","","","","- C58 H55 F6 N O P4 Ru -","- C58 H55 F6 N O P4 Ru -","- C116 H110 F12 N2 O2 P8 Ru2 -","2","1","","H. Brunner; C. Valério; M. Zabel","Optically active transition metal complexes. Part 123: new chiral half-sandwich ruthenium complexes, in which the arene ligand is tethered to a PN ligand","New J. Chem.","2000","24","5","275","279","10.1039/a909262e","","","0.71073","MoKα","","0.16","0.0847","","","0.1836","0.2124","","","","","","0.846","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051261","11.931","0.007","11.105","0.011","8.929","0.005","90","","90.96","0.04","90","","1182.9","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 B N O -","- C5 H8 B N O -","- C40 H64 B8 N8 O8 -","8","1","","Gerald Lesley, M. J.; Norman, Nicholas C.; Guy Orpen, A.; Starbuck, Jonathan","Synthetic routes to cyclic and unsymmetric diborane(4) compounds","New Journal of Chemistry","2000","24","3","115","","10.1039/a909645k","","","0.71073","MoKα","","0.0659","0.0402","","","0.092","0.1063","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051262","13.3492","0.0007","25.9398","0.0013","13.5326","0.0008","90","","118.966","0.0015","90","","4099.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H99 Cl5 Gd4 N6 O52 -","- C30 H47 Cl5 Gd4 N6 O52 -","- C60 H94 Cl10 Gd8 N12 O104 -","2","1","","Ma, Bao-Qing; Zhang, Da-Shun; Gao, Song; Jin, Tian-Zhu; Yan, Chun-Hua","The formation of Gd4O4 cubane cluster controlled by L-valine","New Journal of Chemistry","2000","24","5","251","","10.1039/a910181k","","","0.71073","MoKα","","0.1156","0.0769","","","0.1873","0.2174","","","","","","1.065","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051263","12.8116","0.0002","12.1494","0.0002","18.2432","0.0002","90","","107.197","0.001","90","","2712.67","0.07","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N3 O10 S -","- C29 H21 N3 O10 S -","- C116 H84 N12 O40 S4 -","4","1","","Christopher Pigge, F.; Zheng, Zhanmiao; Rath, Nigam P.","1,3,5-Triaroylbenzenes as versatile inclusion hosts via C‒H···O hydrogen bonding","New Journal of Chemistry","2000","24","4","183","","10.1039/a910190j","","","0.71073","MoKα","","0.0629","0.038","","","0.0845","0.0929","","","","","","1.025","","","","has coordinates,has disorder","180066","2020-10-21","18:00:00",""
"7051264","9.7093","0.0001","10.3943","0.0002","14.4467","0.0002","83.177","0.001","84.037","0.001","73.265","0.001","1382.62","0.04","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H17 Cl2 N3 O9 -","- C28 H17 Cl2 N3 O9 -","- C56 H34 Cl4 N6 O18 -","2","1","","Christopher Pigge, F.; Zheng, Zhanmiao; Rath, Nigam P.","1,3,5-Triaroylbenzenes as versatile inclusion hosts via C–H···O hydrogen bonding","New Journal of Chemistry","2000","24","4","183","","10.1039/a910190j","","","0.71073","MoKα","","0.103","0.0665","","","0.1956","0.2276","","","","","","1.024","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051265","17.788","0.004","10.706","0.002","18.56","0.004","90","","113.37","0.03","90","","3244.6","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H0 Cl4 Eu2 N2 O34 P2 -","- C6 Cl4 Eu2 N2 O34 P2 -","- C24 Cl16 Eu8 N8 O136 P8 -","4","1","","Gałdecka, Ewa; Gałdecki, Zdzislaw; Gawryszewska, Paula; Legendziewicz, Janina","Structure of a novel polynuclear europium compound with N-phosphonomethylglycine: heptaaquaperchloratodi-μ4-N-phosphonomethylglycine-dieuropium(III) triperchlorate monohydrate, [Eu2(HO3PCH2NH2CH2CO2)2(H2O)7(ClO4)]·3ClO4·H2O","New Journal of Chemistry","2000","24","6","387","","10.1039/b000230p","","","0.71073","MoKα","","0.1239","0.0656","","","0.1614","0.2104","","","","","","0.959","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051266","6.6655","0.0002","16.4067","0.0005","12.7938","0.0001","90","","94.307","0.002","90","","1395.16","0.06","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Bermejo, Manuel R.; González, Ana M.; Fondo, Matilde; García-Deibe, Ana; Maneiro, Marcelino; Sanmartín, Jesús; Hoyos, Olga L.; Watkinson, Michael","A direct route to obtain manganese(III) complexes with a new class of asymmetrical Schiff base ligands","New Journal of Chemistry","2000","24","4","235","","10.1039/b000235f","","","0.71073","MoKα","","0.1253","0.0584","","0.159","0.1288","","","","0.959","1.114","1.114","","","","","has coordinates","301851","2025-08-21","20:32:37",""
"7051267","14.056","0.005","17.494","0.003","14.397","0.004","90","","109.49","0.02","90","","3337.3","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(Ph-protach)(SO4)(0.5CH3OH)], (1)","cis,cis-1,3,5-(E,E)-tri(phenyl-propenylideneamino)cyclohexane copper sulfate, (1) {tri(phenyl-propenylideneamino)cyclohexane = (Ph-protach)}","","- C34.5 H39 Cu N3 O5.5 S -","- C34.5 H39 Cu N3 O5.5 S -","- C138 H156 Cu4 N12 O22 S4 -","4","1","","Greener, Bryan; Foxon, Simon P.; Walton, Paul H.","Syntheses and structures of a range of metal complexes with the ligand cis,cis-1,3,5-(E,E)-tris(phenylpropenylideneamino)cyclohexane","New Journal of Chemistry","2000","24","5","269","","10.1039/b000441n","","x-ray","0.71069","MoKα","","0.1043","0.0493","","","0.1207","0.1487","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051268","15.579","0.003","16.549","0.003","19.916","0.002","90","","109.335","0.01","90","","4845.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(Ph-protach)(Cl)]BPh4, (2)","cis,cis-1,3,5-(E,E)-tri(phenyl-propenylideneamino)cyclohexane nickel(II) chloride tetraphenylborate, (2) {tri(phenyl-propenylideneamino)cyclohexane = (Ph-protach)}","","- C57 H53 B Cl N3 Ni -","- C57 H53 B Cl N3 Ni -","- C228 H212 B4 Cl4 N12 Ni4 -","4","1","","Greener, Bryan; Foxon, Simon P.; Walton, Paul H.","Syntheses and structures of a range of metal complexes with the ligand cis,cis-1,3,5-(E,E)-tris(phenylpropenylideneamino)cyclohexane","New Journal of Chemistry","2000","24","5","269","","10.1039/b000441n","","x-ray","0.71069","MoKα","","0.1229","0.0504","","","0.1328","0.1934","","","","","","1.026","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051269","15.222","0.01","19.097","0.009","10.784","0.01","99.61","0.06","103.87","0.07","76.73","0.04","2941","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Zn(Ph-protach)(Cl)]BPh4, (3)","cis,cis-1,3,5-(E,E)-tri(phenyl-propenylideneamino)cyclohexane zinc(II) chloride tetraphenylborate, (3) {tri(phenyl-propenylideneamino)cyclohexane = (Ph-protach)}","","- C60 H59 B Cl7 N3 Zn -","- C60 H59 B Cl7 N3 Zn -","- C120 H118 B2 Cl14 N6 Zn2 -","2","1","","Greener, Bryan; Foxon, Simon P.; Walton, Paul H.","Syntheses and structures of a range of metal complexes with the ligand cis,cis-1,3,5-(E,E)-tris(phenylpropenylideneamino)cyclohexane","New Journal of Chemistry","2000","24","5","269","","10.1039/b000441n","","x-ray","0.71069","MoKα","","0.1414","0.0733","","","0.1853","0.2276","","","","","","0.986","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051270","15.642","0.003","17.746","0.004","10.348","0.003","99.861","0.019","105.154","0.017","76.486","0.015","2677.1","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","[Cd(Ph-protach)(NO3)(CH3OH)]BPh4, (4)","cis,cis-1,3,5-(E,E)-tri(phenyl-propenylideneamino)cyclohexane cadmium(II) nitrate tetraphenylborate, (4) {tri(phenyl-propenylideneamino)cyclohexane = (Ph-protach)}","","- C59 H61 B Cd N4 O5 -","- C59 H61 B Cd N4 O5 -","- C118 H122 B2 Cd2 N8 O10 -","2","1","","Greener, Bryan; Foxon, Simon P.; Walton, Paul H.","Syntheses and structures of a range of metal complexes with the ligand cis,cis-1,3,5-(E,E)-tris(phenylpropenylideneamino)cyclohexane","New Journal of Chemistry","2000","24","5","269","","10.1039/b000441n","","x-ray","0.7107","MoKα","","0.0533","0.0323","","","0.0806","0.0965","","","","","","1.079","","","","has coordinates,has disorder","301851","2025-08-21","20:32:37",""
"7051271","15.835","0.002","17.762","0.002","14.503","0.002","113.53","0.01","103.169","0.01","88.58","0.01","3631.6","0.9","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H105 N4 O P Zn -","- C83 H105 N4 O P Zn -","- C166 H210 N8 O2 P2 Zn2 -","2","1","","Darling, Scott L.; Stulz, Eugen; Feeder, Neil; Bampos, Nick; Sanders, Jeremy K. M.","Phosphine-substituted porphyrins as supramolecular building blocks","New Journal of Chemistry","2000","24","5","261","","10.1039/b000482k","","","0.71073","MoKα","","0.1553","0.104","","","0.2676","0.3015","","","","","","1.082","","","","has coordinates,has disorder","180066","2020-10-21","18:00:00",""
"7051272","7.4376","0.0003","8.9729","0.0004","11.9365","0.0005","73.754","0.002","83.435","0.002","66.728","0.002","702.56","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 B Fe P -","- C16 H16 B Fe P -","- C32 H32 B2 Fe2 P2 -","2","1","","Evans, Chris E. B.; Lough, Alan J.; Grondey, Hiltrud; Manners, Ian","Synthesis, structure and polymerization behaviour of borane adducts of a phosphorus-bridged [1]ferrocenophane, [(η-C5H4)2FePPh]","New Journal of Chemistry","2000","24","6","447","","10.1039/b000935k","","","0.71073","MoKα","","0.0328","0.0282","","","0.0731","0.0764","","","","","","1.1","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051273","21.7419","0.0003","16.3501","0.0004","24.7136","0.0005","90","","90","","90","","8785.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H90 P4 Ru2 -","- C36 H90 P4 Ru2 -","- C288 H720 P32 Ru16 -","8","1","","Evans, Chris E. B.; Lough, Alan J.; Grondey, Hiltrud; Manners, Ian","Synthesis, structure and polymerization behaviour of borane adducts of a phosphorus-bridged [1]ferrocenophane, [(η-C5H4)2FePPh]","New Journal of Chemistry","2000","24","6","447","","10.1039/b000935k","","","0.71073","MoKα","","0.0736","0.0391","","","0.085","0.0936","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051274","10.778","0.002","11.882","0.002","13.83","0.002","81.079","0.013","89.136","0.014","64.835","0.014","1581.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N4 Ni O2 S4 -","- C32 H28 N4 Ni O2 S4 -","- C64 H56 N8 Ni2 O4 S8 -","2","1","","Zhu, Xu-Hui; Chen, Xiao-Feng; Zhang, Yong; You, Xiao-Zeng; Tan, Wei-Lian; Ji, Wei; Vittal, Jaganese J.; Tan, Goek-Kheng; Kennard, Colin H. L.","Crystal structures, molecular packing and picosecond optical limiting properties of quadridentate Schiff base divalent metal complexes derived from S-benzyl dithiocarbazate","New Journal of Chemistry","2000","24","6","419","","10.1039/b000960l","","","0.71073","MoKα","","0.0639","0.052","","0.1596","0.1477","","","","1.071","1.101","1.101","","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051275","10.7838","0.0006","11.1477","0.0006","14.6503","0.0008","81.72","0.001","84.405","0.001","66.35","0.001","1594.91","0.15","293","2","293","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C32 H28 N4 O2 Pd S4 -","- C32 H28 N4 O2 Pd S4 -","- C64 H56 N8 O4 Pd2 S8 -","2","1","","Zhu, Xu-Hui; Chen, Xiao-Feng; Zhang, Yong; You, Xiao-Zeng; Tan, Wei-Lian; Ji, Wei; Vittal, Jaganese J.; Tan, Goek-Kheng; Kennard, Colin H. L.","Crystal structures, molecular packing and picosecond optical limiting properties of quadridentate Schiff base divalent metal complexes derived from S-benzyl dithiocarbazate","New Journal of Chemistry","2000","24","6","419","","10.1039/b000960l","","","0.71073","MoKα","","0.0458","0.0354","","0.0861","0.0806","","","","1.037","1.059","1.059","","","","","has coordinates,has disorder","301851","2025-08-21","20:32:37",""
"7051276","12.054","0.003","24.13","0.003","12.213","0.003","90","","92.25","0.02","90","","3549.6","1.3","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 I O2 P2 Rh -","- C40 H34 I O2 P2 Rh -","- C160 H136 I4 O8 P8 Rh4 -","4","1","","Pierre Braunstein; Yves Chauvin; Jean Fischer; Hélène Olivier; Carsten Strohmann; Dawn V. Toronto","Oxidative addition of iodine, iodomethane and iodobenzene to the rhodium phosphino enolate complex[Rh{Ph2PCHC(O)Ph}(CO)(PPh3)] and carbon monoxide insertion into the resulting Rh‒carbon bond of [Rh{Ph2PCHC(O)Ph}Me(I)(CO)(PPh3)]","New J. Chem.","2000","24","6","437","445","10.1039/b000961j","","","0.71073","Mo-Kα","","0.091","0.039","","0.149","","0.055","","","2.97","","","1.088","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051277","17.887","0.005","18.538","0.005","11.515","0.003","90","","90","","90","","3818.2","1.8","294","","294","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H36 I O2 P2 Rh -","- C45 H36 I O2 P2 Rh -","- C180 H144 I4 O8 P8 Rh4 -","4","1","","Pierre Braunstein; Yves Chauvin; Jean Fischer; Hélène Olivier; Carsten Strohmann; Dawn V. Toronto","Oxidative addition of iodine, iodomethane and iodobenzene to the rhodium phosphino enolate complex[Rh{Ph2PCHC(O)Ph}(CO)(PPh3)] and carbon monoxide insertion into the resulting Rh‒carbon bond of [Rh{Ph2PCHC(O)Ph}Me(I)(CO)(PPh3)]","New J. Chem.","2000","24","6","437","445","10.1039/b000961j","","","0.71073","Mo-Kα","","0.038","0.022","","0.037","","0.027","","","1.408","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051278","13.864","0.003","8.859","0.002","29.696","0.006","90","","101.27","0.03","90","","3577","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 O2.5 P2 Rh -","- C41 H36 O2.5 P2 Rh -","- C164 H144 O10 P8 Rh4 -","4","1","","Pierre Braunstein; Yves Chauvin; Jean Fischer; Hélène Olivier; Carsten Strohmann; Dawn V. Toronto","Oxidative addition of iodine, iodomethane and iodobenzene to the rhodium phosphino enolate complex[Rh{Ph2PCHC(O)Ph}(CO)(PPh3)] and carbon monoxide insertion into the resulting Rh‒carbon bond of [Rh{Ph2PCHC(O)Ph}Me(I)(CO)(PPh3)]","New J. Chem.","2000","24","6","437","445","10.1039/b000961j","","","0.71073","MoKα","","0.0453","0.0365","","0.1066","0.0916","","","","1.053","1.077","1.077","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051279","15.197","0.001","5.808","0.002","19.5635","0.0009","90","","95.321","0.005","90","","1719.3","0.6","296.2","","296.2","","","","","","","","preparation","4","P 1 21/c 1","-P 2ybc","14","4f","","","- C19 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Itoh, Kuniaki; Kishimoto, Shigehisa","The reaction of β-nitrostyrenes with 2-methoxyfuran: a novel formation of isoxazoline N-oxide together with Michael adducts","New Journal of Chemistry","2000","24","6","347","","10.1039/b001049i","","","0.7107","MoKα","","","0.0553","","","0.0453","","","","","1.479","1.479","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051280","12.064","0.003","12.797","0.002","9.794","0.003","102.99","0.02","97.17","0.02","68.7","0.02","1371.1","0.6","20","","20","","","","","","","","","3","P -1","-P 1","2","","","","?","- C72 H60 N4 -","- C72 H60 N4 -","","","","Yao, Min-Liang; Deng, Min-Zhi","A practical approach to stereodefined cyclopropyl-substituted heteroarenes using a Suzuki-type reaction","New Journal of Chemistry","2000","24","6","425","","10.1039/b001051k","","","0.7107","MoKalpha","","","0.041","","","0.045","","","","","1.39","1.39","","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7051281","7.994","0.001","21.67","0.003","14.741","0.003","90","","101.91","0.01","90","","2498.6","0.7","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(3,5-dinitrophenyl)-3,6,9-trioxaundecanedicarboxamide","","- C20 H22 N6 O14 -","- C20 H22 N6 O14 -","- C80 H88 N24 O56 -","4","1","","Sylvie Meyer; Rémy Louis; Bernard Metz; Yvette Agnus; Alexandre Varnek; Maurice Gross","Unprecedented role of water in self-assembly of potential molecular tweezers","New J. Chem.","2000","24","6","371","376","10.1039/b001127o","","","1.54056","Cu-Kα","","0.094","0.049","","","","0.045","","","","","","0.947","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051282","11.318","0.002","24.444","0.005","11.069","0.001","96.17","0.01","101.24","0.01","77.23","0.02","2922.6","0.9","294","","294","","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(3,5-dimethylisophtalate)-3,6,9-trioxaundecanedicarboxamide","","- C56 H66 N4 O27 -","- C56 H66 N4 O27 -","- C112 H132 N8 O54 -","2","1","","Sylvie Meyer; Rémy Louis; Bernard Metz; Yvette Agnus; Alexandre Varnek; Maurice Gross","Unprecedented role of water in self-assembly of potential molecular tweezers","New J. Chem.","2000","24","6","371","376","10.1039/b001127o","","","1.54056","Cu-Kα","","0.109","0.052","","","","0.059","","","","","","0.999","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051283","13.43","0.001","13.748","0.001","18.444","0.001","88.31","0.003","70.157","0.003","62.542","0.003","2809.3","0.3","20","2","20","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 O P -","- C37 H31 O P -","- C148 H124 O4 P4 -","4","2","","Matthew G. Davidson; Andrés E. Goeta; Judith A. K. Howard; Sarah Lamb; Sax A. Mason","The shortest C–H···O hydrogen bonds yet determined by single crystal neutron diffraction: a structural study of two phosphonium aryloxides","New J. Chem.","2000","24","7","477","479","10.1039/b001433h","","neutron","1.3137","neutron","","0.0486","0.044","","0.1319","0.1264","","","","1.133","","","","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051284","18.57","0.001","17.22","0.001","19.03","0.001","90","","90","","90","","6085.3","0.6","20","2","20","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H43 O P -","- C35 H43 O P -","- C280 H344 O8 P8 -","8","1","","Matthew G. Davidson; Andrés E. Goeta; Judith A. K. Howard; Sarah Lamb; Sax A. Mason","The shortest C–H···O hydrogen bonds yet determined by single crystal neutron diffraction: a structural study of two phosphonium aryloxides","New J. Chem.","2000","24","7","477","479","10.1039/b001433h","","neutron","1.3137","neutron","","0.0443","0.0357","","0.0738","0.0713","","","","","","","1.171","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051285","15.7749","0.0003","18.8326","0.0003","19.4901","0.0004","90","","90","","90","","5790.17","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H27 N O P2 Se2 -","- C31 H27 N O P2 Se2 -","- C248 H216 N8 O8 P16 Se16 -","8","1","","Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.","Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure","New Journal of Chemistry","2000","24","6","429","","10.1039/b001458n","","","0.71073","MoKα","","0.0915","0.0336","","0.0786","0.0611","","","","0.83","0.951","0.951","","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051286","11.8731","0.0003","14.3704","0.0003","21.5491","0.0005","90","","98.502","0.001","90","","3636.33","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28.5 Cl4.5 N O P2 Pd -","- C32 H27.5 Cl4.5 N O P2 Pd -","- C128 H110 Cl18 N4 O4 P8 Pd4 -","4","1","","Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.","Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure","New Journal of Chemistry","2000","24","6","429","","10.1039/b001458n","","","0.71073","MoKα","","0.1063","0.0559","","0.2341","0.1564","","","","0.849","0.84","0.84","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051287","15.0814","0.0006","9.2086","0.0004","25.0051","0.0009","90","","98.384","0.001","90","","3435.6","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H27.5 Cl3.5 N O P2 Pt S -","- C31.5 H27.5 Cl3.5 N O P2 Pt S -","- C126 H110 Cl14 N4 O4 P8 Pt4 S4 -","4","1","","Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.","Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure","New Journal of Chemistry","2000","24","6","429","","10.1039/b001458n","","","0.71073","MoKα","","0.0364","0.0261","","0.1131","0.0752","","","","0.787","0.806","0.806","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051288","9.0732","0.0001","18.9395","0.0002","19.2823","0.0001","90","","96.862","0.001","90","","3289.77","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Mo N O5 P2 -","- C35 H27 Mo N O5 P2 -","- C140 H108 Mo4 N4 O20 P8 -","4","1","","Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.","Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure","New Journal of Chemistry","2000","24","6","429","","10.1039/b001458n","","","0.71073","MoKα","","0.0289","0.0209","","0.0736","0.0563","","","","0.943","0.966","0.966","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7051289","11.15","0.0002","30.8735","0.0004","17.2571","0.0003","90","","94.393","0.001","90","","5923.12","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 Cu F6 N2 O2 P5 -","- C62 H54 Cu F6 N2 O2 P5 -","- C248 H216 Cu4 F24 N8 O8 P20 -","4","1","","Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.","Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure","New Journal of Chemistry","2000","24","6","429","","10.1039/b001458n","","","0.71073","MoKα","","0.1745","0.0578","","0.2015","0.1269","","","","0.963","1.01","1.01","","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051290","9.535","0.002","12.52","0.003","17.012","0.003","71.89","0.03","81.55","0.03","68.9","0.03","1799.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H48 Ho N13 O15 -","- C21 H42 Ho N13 O15 -","- C42 H84 Ho2 N26 O30 -","2","1","","Mondry, Anna; Starynowicz, Przemysław","Structure and optical spectroscopy of holmium(III) triethylenetetraaminehexaacetate in single crystal and in solution","New Journal of Chemistry","2000","24","8","603","","10.1039/b001480j","","","0.71073","MoKα","","0.0388","0.0351","","","0.1021","0.1022","","","","","","5.609","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051291","11.818","0.002","23.435","0.005","21.975","0.004","90","","96.92","0.03","90","","6042","2","299","1","299","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H67 Cl Li4 N4 O10 Zn -","- C58 H67 Cl Li4 N4 O10 Zn -","- C232 H268 Cl4 Li16 N16 O40 Zn4 -","4","1","","Sobota, Piotr; Klimowicz, Maria; Utko, Józef; Jerzykiewicz, Lucjan B.","Syntheses and crystal structure of [Li4Zn(μ3,η2-ddbfo)2(μ,η2-ddbfo)3Cl(CH3CN)2]·2CH3CN, [Na4(μ,η2-ddbfo)4(CH3CN)4] and [Zn2(μ,η1-ddbfo)2Cl2(py)2] aggregates","New Journal of Chemistry","2000","24","7","523","","10.1039/b001832p","","","0.71073","MoKα","","0.0736","0.0387","","","0.1057","0.117","","","","","","1.084","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051292","9.988","0.002","18.643","0.004","28.848","0.006","84.29","0.03","84.32","0.03","76","0.03","5171","2","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C96 H112 N8 Na8 O16 -","- C96 H112 N8 Na8 O16 -","- C192 H224 N16 Na16 O32 -","2","1","","Sobota, Piotr; Klimowicz, Maria; Utko, Józef; Jerzykiewicz, Lucjan B.","Syntheses and crystal structure of [Li4Zn(μ3,η2-ddbfo)2(μ,η2-ddbfo)3Cl(CH3CN)2]·2CH3CN, [Na4(μ,η2-ddbfo)4(CH3CN)4] and [Zn2(μ,η1-ddbfo)2Cl2(py)2] aggregates","New Journal of Chemistry","2000","24","7","523","","10.1039/b001832p","","","0.71073","MoKα","","0.0621","0.0395","","","0.1069","0.1183","","","","","","1.101","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051293","9.855","0.004","8.836","0.005","18.068","0.006","90","","99.99","0.04","90","","1549.5","1.2","299","1","299","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O2 Zn -","- C15 H16 Cl N O2 Zn -","- C60 H64 Cl4 N4 O8 Zn4 -","4","1","","Sobota, Piotr; Klimowicz, Maria; Utko, Józef; Jerzykiewicz, Lucjan B.","Syntheses and crystal structure of [Li4Zn(μ3,η2-ddbfo)2(μ,η2-ddbfo)3Cl(CH3CN)2]·2CH3CN, [Na4(μ,η2-ddbfo)4(CH3CN)4] and [Zn2(μ,η1-ddbfo)2Cl2(py)2] aggregates","New Journal of Chemistry","2000","24","7","523","","10.1039/b001832p","","","0.71073","MoKα","","0.0472","0.0261","","","0.0755","0.0809","","","","","","1.064","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051294","11.494","0.003","25.328","0.003","6.1281","0.0005","90","","90","","90","","1784","0.5","288.2","","288.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N2 O3 -","- C18 H27 N2 O3 -","- C72 H108 N8 O12 -","4","1","","Kumagai, Hitoshi; Hosokoshi, Yuko; Markosyan, Ashot S.; Inoue, Katsuya","Synthesis and magnetic properties of a new complex made up of Mn(hfac)2 and a radical with a triplet ground state","New Journal of Chemistry","2000","24","7","537","","10.1039/b001840f","","","0.7107","MoKα","","0.0764","0.0669","","0.0855","0.083","","","","2.047","1.986","1.986","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051295","14.081","0.001","15.94","0.0011","16.0751","0.001","90","","90","","90","","3608.1","0.4","298","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 F12 Mn N2 O7 -","- C28 H29 F12 Mn N2 O7 -","- C112 H116 F48 Mn4 N8 O28 -","4","1","","Kumagai, Hitoshi; Hosokoshi, Yuko; Markosyan, Ashot S.; Inoue, Katsuya","Synthesis and magnetic properties of a new complex made up of Mn(hfac)2 and a radical with a triplet ground state","New Journal of Chemistry","2000","24","7","537","","10.1039/b001840f","","","0.71073","MoKα","","0.1584","0.069","","","0.1692","0.21","","","","","","0.859","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051296","13.7248","0.0019","13.7248","0.0019","10.859","0.002","90","","90","","90","","2045.4","0.6","123","2","123","2","","","","","","","","3","I -4","I -4","82","Methylpyrazine","","","- C5 H6 N2 -","- C5 H6 N2 -","- C80 H96 N32 -","16","2","","","","New Journal of Chemistry","2000","24","6","463","470","10.1039/b001843k","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051297","7.8108","0.0014","6.5509","0.0014","12.164","0.003","90","","108.613","0.014","90","","589.9","0.2","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,3-Dimethylpyrazine","","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","","","","New Journal of Chemistry","2000","24","6","463","470","10.1039/b001843k","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051298","5.7021","0.001","5.048","0.002","10.664","0.0016","90","","104.549","0.015","90","","297.12","0.14","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,5-Dimethylpyrazine","","","- C6 H8 N2 -","- C6 H8 N2 -","- C12 H16 N4 -","2","0.5","","","","New Journal of Chemistry","2000","24","6","463","470","10.1039/b001843k","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051299","7.5568","0.0001","10.8552","0.0001","7.4451","0.0001","90","","90.525","0.001","90","","610.7","0.013","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Dimethylpyrazine","","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","","","","New Journal of Chemistry","2000","24","6","463","470","10.1039/b001843k","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051300","9.1439","0.0017","10.243","0.002","15.212","0.003","90","","95.546","0.014","90","","1418.1","0.4","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Trimethylpyrazine","","","- C7 H10 N2 -","- C7 H10 N2 -","- C56 H80 N16 -","8","2","","","","New Journal of Chemistry","2000","24","6","463","470","10.1039/b001843k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301442","2025-08-04","07:13:35",""
"7051301","7.696","0.0001","7.781","0.0004","25.554","0.001","90","","90.239","0.001","90","","1530.2","0.2","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Fe2 N4 O8 -","- C32 H32 Fe2 N4 O8 -","- C64 H64 Fe4 N8 O16 -","2","0.5","","Dupont Karl","","New Journal of Chemistry","2000","24","7","547","553","10.1039/b002061n","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051302","17.345","0.0004","13.816","0.0003","10.513","0.0003","90","","90","","90","","2519.3","0.2","294","","294","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Fe N4 O6 -","- C24 H24 Fe0.5 N4 O6 -","- C96 H96 Fe2 N16 O24 -","4","0.5","","","","New Journal of Chemistry","2000","24","7","547","553","10.1039/b002061n","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051303","5.799","0.008","9.962","0.007","11.54","0.02","102.12","0.08","104","0.1","103.66","0.08","602.8","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Fe N4 O7 -","- C22 H28 Fe N4 O7 -","- C22 H28 Fe N4 O7 -","1","0.5","","","","New Journal of Chemistry","2000","24","7","547","553","10.1039/b002061n","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051304","11.91","0.01","10.623","0.005","13.516","0.009","90","","107.96","0.08","90","","1626.7","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Fe2 N4 O8 -","- C34 H38 Fe2 N4 O8 -","- C68 H76 Fe4 N8 O16 -","2","0.5","","","","New Journal of Chemistry","2000","24","7","547","553","10.1039/b002061n","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051305","5.768","0.0006","10.553","0.001","11.536","0.001","109.374","0.001","94.184","0.001","90.998","0.001","660","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Fe N4 O10 -","- C22 H26 Fe0.5 N4 O10 -","- C22 H26 Fe0.5 N4 O10 -","1","0.5","","","","New Journal of Chemistry","2000","24","7","547","553","10.1039/b002061n","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"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","301851","2025-08-21","20:32:38",""
"7051307","31.169","0.0013","5.462","0.0002","19.627","0.0008","90","","102.81","","90","","3258.2","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1,7,10,16-Tetraoxa-4,13-diazacyclo-octadecane 1,8-diiodoperfluorooctane","","- C20 H26 F16 I2 N2 O4 -","- C20 H26 F16 I2 N2 O4 -","- C80 H104 F64 I8 N8 O16 -","4","0.5","","Navarrini, Walter; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe","Crown ethers as pre-organised exo-receptors in the divergent recognition of α,ω-diiodoperfluoroalkanes","New Journal of Chemistry","2000","24","10","777","","10.1039/b002247k","","","0.71069","MoKα","","0.0572","0.0413","","","0.1153","0.1242","","","","","","1.06","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051308","11.972","0.002","11.775","0.001","13.022","0.002","90","","100.92","0.01","90","","1802.5","0.4","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cu N4 O7 -","- C18 H14 Cu N4 O7 -","- C72 H56 Cu4 N16 O28 -","4","1","","Ezuhara, Takayoshi; Endo, Ken; Matsuda, Kenji; Aoyama, Yasuhiro","One-dimensional chains consisting of copper(II) ions and an orthogonal anthracene-pyrimidine derivative: hierarchical formation of high-dimensional networks and their magnetic properties","New Journal of Chemistry","2000","24","8","609","","10.1039/b002315i","","","0.7107","MoKα","","","0.043","","","","0.0567","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051309","13.734","0.004","7.248","0.003","22.423","0.003","90","","95.75","0.02","90","","2220.8","1.2","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cu N4 O8 -","- C22 H24 Cu N4 O8 -","- C88 H96 Cu4 N16 O32 -","4","1","","Ezuhara, Takayoshi; Endo, Ken; Matsuda, Kenji; Aoyama, Yasuhiro","One-dimensional chains consisting of copper(II) ions and an orthogonal anthracene-pyrimidine derivative: hierarchical formation of high-dimensional networks and their magnetic properties","New Journal of Chemistry","2000","24","8","609","","10.1039/b002315i","","","0.7107","MoKα","","","0.045","","","","0.0789","","","","","","1.514","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051310","13.1","0.2","25.4","0.2","12","0.2","90","","90","","90","","3993","10","296.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cu N4 O8 -","- C19 H18 Cu N4 O8 -","- C152 H144 Cu8 N32 O64 -","8","1","","Ezuhara, Takayoshi; Endo, Ken; Matsuda, Kenji; Aoyama, Yasuhiro","One-dimensional chains consisting of copper(II) ions and an orthogonal anthracene-pyrimidine derivative: hierarchical formation of high-dimensional networks and their magnetic properties","New Journal of Chemistry","2000","24","8","609","","10.1039/b002315i","","","0.7107","MoKα","","","0.046","","","","0.0685","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051311","9.284","0.0006","19.097","0.002","12.781","0.0007","90","","99.091","0.004","90","","2237.6","0.3","170","","170","","","","","","","","H2L-1 + [Ti(NBu-t)Cl2(py(3] in benzene","8","P 1 21/n 1","-P 2yn","14","","[Ti{i-Pr2(CH2CH2CH2N)[9]aneN3}Cl(OTf)]","","- C16 H32 Cl F3 N4 O3 S Ti -","- C16 H32 Cl F3 N4 O3 S Ti -","- C64 H128 Cl4 F12 N16 O12 S4 Ti4 -","4","1","","Male, Nigel A. H.; Skinner, Michael E. G.; Wilson, Paul J.; Mountford, Philip; Schröder, Martin","ansa-Linked titanium macrocycle–imido complexes","New Journal of Chemistry","2000","24","8","575","","10.1039/b002341h","","","0.71069","MoKα","","","0.0526","","","0.0359","","","","","1.17","1.17","","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7051312","25.504","0.004","20.498","0.003","19.688","0.003","90","","118.61","0.01","90","","9036","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 Ag N7 O5 P -","- C49 H43 Ag N7 O5 P -","- C392 H344 Ag8 N56 O40 P8 -","8","1","","Sun, Wei-Yin; Xie, Jin; Mei, Yu-Hua; Yu, Kai-Bei","Synthesis and crystal structure of three-coordinated silver(I) and copper(I) complexes with N2P binding set containing a novel tripodal ligand: 1,3,5-tris(benzimidazol-2-ylmethyl)benzene","New Journal of Chemistry","2000","24","7","519","","10.1039/b002450n","","","0.71073","MoKα","","0.0762","0.0409","","0.1022","0.0898","","","","0.859","1.038","1.038","","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051313","29.293","0.004","29.293","0.004","18.476","0.004","90","","90","","120","","13730","4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28 H34.33 Fe2 N6 Ni O1.17 S2 -","- C28 H34.34 Fe2 N6 Ni O1.16667 S2 -","- C504 H618.12 Fe36 N108 Ni18 O21 S36 -","18","1","","Fang Chen-jie; Duan Chun-ying; He Cheng; Han Gang; Meng Qing-jin","A supramolecular analog of cyclohexane sustained by aromatic C‒H···π interactions between ferrocene moieties: molecular packing of ferrocene-containing thiosemicarbazato metal complexes","New J. Chem.","2000","24","9","697","701","10.1039/b002590i","","","0.71073","MoKα","","0.1224","0.0683","","","0.1676","0.1994","","","","","","1.009","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051314","29.171","0.003","29.171","0.003","19.702","0.003","90","","90","","120","","14519","3","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C28 H34 Fe2 N6 O S2 Zn -","- C28 H34 Fe2 N6 O S2 Zn -","- C504 H612 Fe36 N108 O18 S36 Zn18 -","18","0.5","","Fang Chen-jie; Duan Chun-ying; He Cheng; Han Gang; Meng Qing-jin","A supramolecular analog of cyclohexane sustained by aromatic C‒H···π interactions between ferrocene moieties: molecular packing of ferrocene-containing thiosemicarbazato metal complexes","New J. Chem.","2000","24","9","697","701","10.1039/b002590i","","","0.71073","MoKα","","0.1339","0.0707","","","0.1622","0.1933","","","","","","1.042","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051315","14.2714","0.0008","15.7335","0.0009","17.2879","0.0009","113.553","0.001","104.959","0.001","97.734","0.001","3311.7","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 B F24 O3 P -","- C72 H48 B F24 O3 P -","- C144 H96 B2 F48 O6 P2 -","2","1","","Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.; Watkin, John G.","Triphenylmethyl tris(p-methoxyphenyl)phosphonium cation: a structurally characterized phosphonium analog of hexaphenylethane","New Journal of Chemistry","2000","24","10","831","","10.1039/b003233f","","","0.71073","MoKα","","0.0835","0.064","","","0.1693","0.1793","","","","","","1.54","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051316","14.1573","0.0007","25.79","0.002","17.873","0.001","90","","108.646","0.001","90","","6183.2","0.7","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 B Cl4 F24 O3 P -","- C58 H38 B Cl4 F24 O3 P -","- C232 H152 B4 Cl16 F96 O12 P4 -","4","1","","Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.; Watkin, John G.","Triphenylmethyl tris(p-methoxyphenyl)phosphonium cation: a structurally characterized phosphonium analog of hexaphenylethane","New Journal of Chemistry","2000","24","10","831","","10.1039/b003233f","","","0.71073","MoKα","","0.0854","0.0685","","","0.2022","0.2149","","","","","","1.513","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051317","14.13","0.01","28.39","0.01","13.816","0.005","90","","116","3","90.08","","4981","13","294","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H43 B2 Cu2 F8 N8 O4 -","- C50 H40 B2 Cu2 F10 N9 O4 -","- C200 H160 B8 Cu8 F40 N36 O16 -","4","1","","Raymond Ziessel; Anthony Harriman; Abdelkrim El-ghayoury; Laurent Douce; Emmanuelle Leize; Hélène Nierengarten; Alain Van Dorsselaer","First assembly of copper(I) naphthyridine-based helicates","New J. Chem.","2000","24","10","729","732","10.1039/b003342l","","","0.71073","Mo-Kα","","","0.106","","","0.111","","","","","7.175","7.175","","","","","has coordinates","288182","2023-12-08","13:20:12",""
"7051318","8.14","0.001","16.191","0.001","14.008","0.002","90","","105.9","0.02","90","","1775.5","0.4","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Au2 N8 Ni -","- C10 H18 Au2 N8 Ni -","- C40 H72 Au8 N32 Ni4 -","4","1","","Chu, Ivan K.; Shek, Iris P. Y.; Michael Siu, K. W.; Wong, Wing-Tak; Zuo, Jing-Lin; Lau, Tai-Chu","Synthesis, crystal structure and electrospray ionisation mass spectrometry of a novel one-dimensional cyano-bridged Ni(II)‒Au(I) polymer","New Journal of Chemistry","2000","24","10","765","","10.1039/b003673k","","","0.7107","MoKalpha","","","0.0569","","","0.0666","","","","","2.315","2.315","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051319","8.992","0.002","13.718","0.001","14.13","0.003","90","","103.87","0.02","90","","1692.1","0.6","293","2","293","2","","","","","","","aqueous synthesis","5","P 1 21/c 1","-P 2ybc","14","","catena-[(mu!2$-pyridin-3-onato-N,0)-{aqua-(pyridin-3-onato) (3-hydroxypyridine)-copper(II)}-water(1/2)]","","- C15 H19 Cu N3 O6 -","- C15 H19 Cu N3 O6 -","- C60 H76 Cu4 N12 O24 -","4","1","","Castillo, Oscar; Luque, Antonio; Iglesias, Sonia; Vitoria, Pablo; Román, Pascual","Synthesis, crystal structure, thermal behaviour and magnetic properties of a novel one-dimensional copper(II) complex containing neutral and deprotonated 3-hydroxypyridine ligands","New Journal of Chemistry","2000","24","10","771","","10.1039/b004072j","","","0.71069","MoKα","","0.0716","0.0373","","","0.0909","0.0972","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051320","7.3724","0.001","14.696","0.003","15.93","0.002","90","","92.334","0.008","90","","1724.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 N3 O6 -","- C18 H9 N3 O6 -","- C72 H36 N12 O24 -","4","1","","Robinson, James M. A.; Philp, Douglas; Harris, Kenneth D. M.; Kariuki, Benson M.","Weak interactions in crystal engineering—understanding the recognition properties of the nitro group","New Journal of Chemistry","2000","24","10","799","","10.1039/b004086j","","","1.5406","","","0.0673","0.0599","","0.1695","0.1602","","","","1.106","1.109","1.109","","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051321","9.646","0.002","6.904","0.002","16.131","0.004","90","","124.43","0.02","90","","886.1","0.4","50","1","50","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,8-dimethylnaphthalene","1,8-dimethylnaphthalene","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","1","","Wilson, Chick C.; Nowell, Harriott","Methyl group librations in sterically hindered dimethylnaphthalene molecules: neutron diffraction studies of 1,8-dimethylnaphthalene between 50 and 200 K","New Journal of Chemistry","2000","24","12","1063","","10.1039/b004123h","","neutron","","neutron","","0.0743","0.0743","","","0.1823","0.1823","","","","","","1.097","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051322","9.725","0.002","6.938","0.002","16.147","0.004","90","","124.4","0.02","90","","898.9","0.4","150","1","150","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,8-dimethylnaphthalene","1,8-dimethylnaphthalene","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","1","","Wilson, Chick C.; Nowell, Harriott","Methyl group librations in sterically hindered dimethylnaphthalene molecules: neutron diffraction studies of 1,8-dimethylnaphthalene between 50 and 200 K","New Journal of Chemistry","2000","24","12","1063","","10.1039/b004123h","","neutron","","neutron","","0.0736","0.0736","","","0.1793","0.1793","","","","","","1.074","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051323","9.773","0.002","6.955","0.002","16.158","0.005","90","","124.36","0.02","90","","906.6","0.5","200","1","200","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,8-dimethylnaphthalene","1,8-dimethylnaphthalene","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","1","","Wilson, Chick C.; Nowell, Harriott","Methyl group librations in sterically hindered dimethylnaphthalene molecules: neutron diffraction studies of 1,8-dimethylnaphthalene between 50 and 200 K","New Journal of Chemistry","2000","24","12","1063","","10.1039/b004123h","","neutron","","neutron","","0.0766","0.0766","","","0.1885","0.1885","","","","","","1.132","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051324","9.678","0.002","6.917","0.002","16.141","0.004","90","","124.39","0.02","90","","891.7","0.4","100","1","100","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,8-dimethylnaphthalene","1,8-dimethylnaphthalene","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","1","","Wilson, Chick C.; Nowell, Harriott","Methyl group librations in sterically hindered dimethylnaphthalene molecules: neutron diffraction studies of 1,8-dimethylnaphthalene between 50 and 200 K","New Journal of Chemistry","2000","24","12","1063","","10.1039/b004123h","","neutron","","neutron","","0.0933","0.0933","","","0.2226","0.2226","","","","","","1.19","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051325","6.3087","0.0011","11.7069","0.0019","13.559","0.002","103.736","0.019","100.89","0.02","104.556","0.019","908","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N3 O9 Tb -","- C15 H18 N3 O9 Tb -","- C30 H36 N6 O18 Tb2 -","2","1","","Christine Tedeschi; Claude Picard; Joëlle Azéma; Bruno Donnadieu; Pierre Tisnès","First crystal structure of a Tb3+ complex derived from an aromatic hydroxamate ligand: sensitized luminescence properties","New J. Chem.","2000","24","10","735","737","10.1039/b004288i","","","","MoK","","0.0251","0.0225","","","0.0518","0.0525","","","","","","1.065","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051326","8.833","0.0002","11.5202","0.0003","16.055","0.0004","103.698","","99.4508","0.0012","98.8901","0.0012","1533.49","0.07","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H58 N2 O Os P2 -","- C26 H58 N2 O Os P2 -","- C52 H116 N4 O2 Os2 P4 -","2","1","","Yandulov, Dmitry V.; Huffman, John C.; Caulton, Kenneth G.","An osmium hydrido methyl species via an unconventional methyl transfer","New Journal of Chemistry","2000","24","9","649","650","10.1039/b004484i","","","0.71073","MoKα","","","0.0159","","","","0.0134","","","","","","0.5487","","","","has coordinates,has disorder","210967","2020-10-21","18:00:00",""
"7051327","7.307","0.003","9.337","0.002","14.654","0.004","101.79","0.02","97.75","0.02","103.75","0.03","932.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Cu(CH3COO)2(NITpPy)]2","","","- C16 H22 Cu N3 O6 -","- C16 H22 Cu N3 O6 -","- C32 H44 Cu2 N6 O12 -","2","1","","Iwayan Dasna; Stéphane Golhen; Lahcène Ouahab; Octavio Peña; Nathalie Daro","A dimeric Cu(II) acetate complex containing axially coordinated p-pyridyl nitronyl nitroxide radicals: [CuII(CH3COO)2(NITpPy)]2","New J. Chem.","2000","24","11","903","906","10.1039/b004491l","","","0.71073","MoKα","","0.0787","0.0369","","","0.0835","0.0962","","","","","","0.989","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051328","11.809","0.002","11.809","0.002","13.108","0.002","90","","90","","90","","1827.9","0.5","293","2","293","2","","","","","","","","6","I 4 2 2","I 4 2","97","Fe2[Mo(CN)8].8H20","","","- C8 H16 Fe2 Mo N8 O8 -","- C8 Fe2 Mo N8 O8 -","- C32 Fe8 Mo4 N32 O32 -","4","0.25","","Amandeep K. Sra; Guillaume Rombaut; Frédéric Lahitête; Stéphane Golhen; Lahcène Ouahab; Corine Mathonière; J. V. Yakhmi; (the late) Olivier Kahn","Hepta/octa cyanomolybdates with Fe2+: influence of the valence state of Mo on the magnetic behavior","New J. Chem.","2000","24","11","871","876","10.1039/b004566g","","","0.71073","MoKα","","0.0782","0.0555","","","0.1414","0.1482","","","","","","1.288","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051329","8.6698","0.0004","8.6698","0.0004","5.2977","0.0003","90","","90","","90","","398.2","0.03","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C4 H14 Br N3 -","- C4 H14 Br N3 -","- C8 H28 Br2 N6 -","2","0.25","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051330","8.6597","0.0006","8.7948","0.0004","11.9359","0.0008","90","","90","","90","","909.04","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H15 Cl2 N3 -","- C4 H15 Cl2 N3 -","- C16 H60 Cl8 N12 -","4","0.5","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051331","11.6664","0.001","9.1552","0.0005","17.5536","0.0018","90","","90","","90","","1874.9","0.3","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C4 H15 Br2 N3 -","- C4 H15 Br2 N3 -","- C32 H120 Br16 N24 -","8","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051332","12.035","0.002","9.7006","0.0019","18.374","0.004","90","","90","","90","","2145.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H15 I2 N3 -","- C4 H15 I2 N3 -","- C32 H120 I16 N24 -","8","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051333","5.1016","0.0007","21.343","0.003","4.744","0.0005","90","","90","","90","","516.54","0.12","100","2","100","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C4 H16 Cl3 N3 -","- C4 H16 Cl3 N3 -","- C8 H32 Cl6 N6 -","2","0.25","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051334","6.2094","0.0012","19.674","0.004","9.0026","0.0018","90","","93.39","0.03","90","","1097.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Br3 N3 -","- C4 H16 Br3 N3 -","- C16 H64 Br12 N12 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051335","4.8037","0.001","11.005","0.002","10.871","0.002","90","","95.63","0.03","90","","571.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H19 Br2 N3 O -","- C5 H18 Br2 N3 O -","- C10 H36 Br4 N6 O2 -","2","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051336","4.7197","0.0009","10.658","0.002","13.046","0.003","90","","93.25","0.03","90","","655.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 Cl N2 O -","- C3 H12 Cl N2 O -","- C12 H48 Cl4 N8 O4 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051337","4.7413","0.0009","10.935","0.002","13.315","0.003","90","","91.77","0.03","90","","690","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 Br N2 O -","- C3 H12 Br N2 O -","- C12 H48 Br4 N8 O4 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051338","4.8139","0.001","11.418","0.002","13.689","0.003","90","","90.48","0.03","90","","752.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 I N2 O -","- C3 H12 I N2 O -","- C12 H48 I4 N8 O4 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051339","14.286","0.003","16.187","0.003","14.162","0.003","90","","90","","90","","3274.9","1.1","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H24 Br4 N4 O -","- C6 H23 Br4 N4 O -","- C48 H184 Br32 N32 O8 -","8","","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051340","15.091","0.003","16.774","0.003","15.06","0.003","90","","90","","90","","3812.2","1.3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H24 I4 N4 O -","- C6 H23 I4 N4 O -","- C48 H184 I32 N32 O8 -","8","","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051341","5.5047","0.0011","11.895","0.002","10.41","0.002","90","","90.67","0.03","90","","681.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl N2 -","- C4 H12 Cl N2 -","- C16 H48 Cl4 N8 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051342","5.9645","0.0012","12.573","0.003","9.4371","0.0019","90","","100.24","0.03","90","","696.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br N2 -","- C4 H12 Br N2 -","- C16 H48 Br4 N8 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051343","8.6143","0.0017","8.7903","0.0018","13.772","0.003","90","","95.5","0.03","90","","1038.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H19 Br N4 -","- C6 H19 Br N4 -","- C24 H76 Br4 N16 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051344","8.5019","0.0017","9.6112","0.0019","14.84","0.003","90","","91.08","0.03","90","","1212.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H21 I N4 O -","- C6 H21 I N4 O -","- C24 H84 I4 N16 O4 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051345","10.875","0.0013","10.875","0.0013","10.875","0.0013","90","","90","","90","","1286.1","0.3","100","2","100","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C6 H21 Cl3 N4 -","- C6 H21 Cl3 N4 -","- C24 H84 Cl12 N16 -","4","0.333333","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051346","16.501","0.002","16.501","0.002","9.5919","0.0019","90","","90","","120","","2261.8","0.6","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 H21 I3 N4 -","- C6 H21 I3 N4 -","- C36 H126 I18 N24 -","6","0.333333","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051347","14.889","0.003","10.685","0.002","20.754","0.004","90","","105.92","0.03","90","","3175.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H46 Br8 N8 O2 -","- C12 H46 Br8 N8 O2 -","- C48 H184 Br32 N32 O8 -","4","1","","","","New Journal of Chemistry","2000","24","10","787","798","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:13:35",""
"7051348","15.29","0.003","9.609","0.002","16.956","0.003","90","","97.93","0.03","90","","2467.4","0.8","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H28 Co0.5 N5 O8 -","- C18 H18 Co0.5 N5 O8 -","- C72 H72 Co2 N20 O32 -","4","1","","Ma, Jian-Fang; Liu, Jing-Fu; Liu, Ying-Chun; Xing, Yan; Jia, Heng-Qing; Lin, Yong-Hua","Two new coordination polymers of Co(II) with 1,1'-(1,4-butanediyl)bis(benzimidazole)","New Journal of Chemistry","2000","24","10","759","","10.1039/b004787m","","","0.71073","MoKα","","0.1428","0.0637","","0.2438","","0.1458","","","0.85","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051349","9.603","0.002","15.914","0.003","15.723","0.003","90","","97.17","0.03","90","","2384","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Co N4 O7 -","- C22 H24 Co N4 O7 -","- C88 H96 Co4 N16 O28 -","4","1","","Ma, Jian-Fang; Liu, Jing-Fu; Liu, Ying-Chun; Xing, Yan; Jia, Heng-Qing; Lin, Yong-Hua","Two new coordination polymers of Co(II) with 1,1'-(1,4-butanediyl)bis(benzimidazole)","New Journal of Chemistry","2000","24","10","759","","10.1039/b004787m","","","0.71073","MoKα","","0.0745","0.0488","","0.1452","0.1374","","","","0.999","1.164","1.164","","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051350","10.469","0.002","15.8692","0.0009","17.2811","0.0014","90","","90","","90","","2871","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 F3 O4 P2 Pd -","- C32 H23 F3 O4 P2 Pd -","- C128 H92 F12 O16 P8 Pd4 -","4","1","","Bedford, Robin B.; Draper, Sylvia M.; Noelle Scully, P.; Welch, Samantha L.","Palladium bis(phosphinite) 'PCP'-pincer complexes and their application as catalysts in the Suzuki reaction","New Journal of Chemistry","2000","24","10","745","","10.1039/b004793g","","","0.71073","MoKα","","0.1203","0.0863","","","0.2743","0.3108","","","","","","1.199","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051351","10.696","0.004","10.696","0.004","19.748","0.006","90","","90","","120","","1956.6","1.2","291","2","291","2","","","","","","","","6","P 32 1 2","P 32 2 (0 0 2)","153","","bis(4,5-diazafluorene thiosemicarbazato)nickel trihydrate","","- C24 H22 N10 Ni O3 S2 -","- C24 H22 N10 Ni O3 S2 -","- C72 H66 N30 Ni3 O9 S6 -","3","0.5","","Liu Ze-hua; Duan Chun-ying; Li Ji-hui; Liu Yong-jiang; Mei Yu-hua; You Xiao-zeng","Structural dependence of π‒π interactions in dithiocarbazato and thiosemicarbazato nickel complexes","New J. Chem.","2000","24","12","1057","1062","10.1039/b004846l","","","0.71073","MoKα","","0.0413","0.037","","","0.088","0.0912","","","","","","1.109","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051352","12.2943","0.0014","14.67","0.002","15.508","0.002","91.439","0.014","99.301","0.012","106.954","0.012","2632.5","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis(fluorene-9-one thiosemicarbazato)nickel monohydrate","","- C28 H22 N6 Ni O S2 -","- C28 H22 N6 Ni O S2 -","- C112 H88 N24 Ni4 O4 S8 -","4","2","","Liu Ze-hua; Duan Chun-ying; Li Ji-hui; Liu Yong-jiang; Mei Yu-hua; You Xiao-zeng","Structural dependence of π‒π interactions in dithiocarbazato and thiosemicarbazato nickel complexes","New J. Chem.","2000","24","12","1057","1062","10.1039/b004846l","","","0.71073","MoKα","","0.0552","0.042","","0.1225","0.1108","","","","1.007","1.027","1.027","","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051353","8.9236","0.0011","21.696","0.003","18.933","0.002","90","","100.772","0.012","90","","3601","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(fluorene-9-one S-phenyl-dithiocarbazato)nickel","","- C42 H30 N4 Ni S4 -","- C42 H28 N4 Ni S4 -","- C168 H112 N16 Ni4 S16 -","4","1","","Liu Ze-hua; Duan Chun-ying; Li Ji-hui; Liu Yong-jiang; Mei Yu-hua; You Xiao-zeng","Structural dependence of π‒π interactions in dithiocarbazato and thiosemicarbazato nickel complexes","New J. Chem.","2000","24","12","1057","1062","10.1039/b004846l","","","0.71073","MoKα","","0.0858","0.049","","0.1571","0.1103","","","","1.074","1.083","1.083","","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051354","10.594","0.003","8.5","0.004","38.598","0.007","90","","96.79","0.02","90","","3451","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(4,5-diazafluorene-9-one S-phenyl-dithiocarbazato)nickel","","- C38 H26 N8 Ni S4 -","- C38 H26 N8 Ni S4 -","- C152 H104 N32 Ni4 S16 -","4","1","","Liu Ze-hua; Duan Chun-ying; Li Ji-hui; Liu Yong-jiang; Mei Yu-hua; You Xiao-zeng","Structural dependence of π‒π interactions in dithiocarbazato and thiosemicarbazato nickel complexes","New J. Chem.","2000","24","12","1057","1062","10.1039/b004846l","","","0.71073","MoKα","","0.1588","0.0714","","","0.1519","0.183","","","","","","1.01","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051355","15.9302","0.001","10.8486","0.0007","11.3797","0.0007","90","","90","","90","","1966.6","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H18 Ag2 N8 Ni O -","- C12 H16 Ag2 N8 Ni O -","- C48 H64 Ag8 N32 Ni4 O4 -","4","1","","Shek, Iris P. Y.; Wong, Wai-Yeung; Lau, Tai-Chu","A novel heterobimetallic Ni(II)‒Ag(I) cyano-bridged coordination polymer incorporating Ag···Ag interactions: {[Ni(cyclen)][Ag(CN)2]}[Ag(CN)2]","New Journal of Chemistry","2000","24","10","733","","10.1039/b004939p","","","0.71073","MoKα","","0.0233","0.0228","","","0.0637","0.0641","","","","","","1.035","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051356","13.683","0.003","22.229","0.005","10.367","0.004","90","","90.485","0.014","90","","3153.1","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H36 B22 Cl2 N2 S4 -","- C8 H36 B22 Cl2 N2 S4 -","- C32 H144 B88 Cl8 N8 S16 -","4","1","","Norman, Nicholas C.; Guy Orpen, A.; Quayle, Michael J.; Rice, Craig R.","Diborane(4) compounds incorporating thio- and seleno-carboranyl groups","New Journal of Chemistry","2000","24","11","837","","10.1039/b004942p","","","0.71073","MoKα","","0.1481","0.079","","0.2195","0.1895","","","","0.875","1.097","1.097","","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051357","11.209","0.004","8.974","0.004","19.784","0.009","90","","94.14","0.04","90","","1984.9","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H29 B10 N3 S2 -","- C8 H29 B10 N3 S2 -","- C32 H116 B40 N12 S8 -","4","1","","Norman, Nicholas C.; Guy Orpen, A.; Quayle, Michael J.; Rice, Craig R.","Diborane(4) compounds incorporating thio- and seleno-carboranyl groups","New Journal of Chemistry","2000","24","11","837","","10.1039/b004942p","","","0.71073","MoKα","","0.2283","0.0931","","0.1908","0.1406","","","","1.009","1.146","1.146","","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051358","19.521","0.006","21.945","0.005","11.965","0.002","90","","103.803","0.014","90","","4978","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H62 B32 Cl2 N4 Se6 -","- C14 H62 B32 Cl2 N4 Se6 -","- C56 H248 B128 Cl8 N16 Se24 -","4","1","","Norman, Nicholas C.; Guy Orpen, A.; Quayle, Michael J.; Rice, Craig R.","Diborane(4) compounds incorporating thio- and seleno-carboranyl groups","New Journal of Chemistry","2000","24","11","837","","10.1039/b004942p","","","0.71073","MoKα","","0.1433","0.0674","","0.1829","0.144","","","","1.019","1.135","1.135","","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051359","7.559","0.002","4.997","0.002","10.293","0.002","116.96","0.03","91.55","0.03","100.31","0.03","338.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 N4 O4 -","- C10 H22 N4 O4 -","- C10 H22 N4 O4 -","1","0.5","","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","","0.0362","0.0328","","","0.0924","0.0956","","","","","","1.087","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051360","5.2851","0.0002","8.0718","0.0004","9.5424","0.0005","109.126","0.003","104.189","0.003","97.989","0.003","362.03","0.03","112","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Br2 N4 O2 -","- C10 H22 Br2 N4 O2 -","- C10 H22 Br2 N4 O2 -","1","0.5","","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","","0.0271","0.0255","","","0.067","0.0682","","","","","","1.114","","","","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",""
"7051362","9.791","0.001","11.806","0.001","10.532","0.001","90","","112.779","0.007","90","","1122.4","0.2","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl2 Ru2 S2 -","- C20 H30 Cl2 Ru2 S2 -","- C40 H60 Cl4 Ru4 S4 -","2","0.5","","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",""
"7051363","9.9109","0.0007","11.9264","0.0008","10.5135","0.0005","90","","112.183","0.004","90","","1150.7","0.1","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl2 Ru2 Se2 -","- C20 H30 Cl2 Ru2 Se2 -","- C40 H60 Cl4 Ru4 Se4 -","2","0.5","","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",""
"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",""
"7051366","23.808","0.009","14.984","0.006","18.715","0.007","90","","94.265","0.005","90","","6658","4","163","2","163","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H84 Cu4 I4 N6 -","- C60 H84 Cu4 I4 N6 -","- C240 H336 Cu16 I16 N24 -","4","1","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. Part 9. Homoconfigurational coordination polymers based on a C2-symmetric, linear-bridging ligand","New Journal of Chemistry","2000","24","12","945","","10.1039/b005881p","","","0.71073","MoKα","","0.0439","0.0414","","","0.1043","0.1057","","","","","","1.041","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051367","13.614","0.005","28.871","0.01","11.523","0.005","90","","90","","90","","4529","3","163","2","163","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20.75 H32 Ag N3 O4.25 -","- C20.75 H32 Ag N3 O4.25 -","- C166 H256 Ag8 N24 O34 -","8","2","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. Part 9. Homoconfigurational coordination polymers based on a C2-symmetric, linear-bridging ligand","New Journal of Chemistry","2000","24","12","945","","10.1039/b005881p","","","0.71073","MoKα","","0.0674","0.036","","","0.0714","0.0771","","","","","","0.89","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051368","10.752","0.006","11.359","0.006","7.382","0.004","90","","90","","90","","901.6","0.8","163","2","163","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H28 N2 -","- C20 H28 N2 -","- C40 H56 N4 -","2","0.5","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. Part 9. Homoconfigurational coordination polymers based on a C2-symmetric, linear-bridging ligand","New Journal of Chemistry","2000","24","12","945","","10.1039/b005881p","","","0.71073","MoKα","","0.0589","0.0439","","","0.1085","0.1148","","","","","","1.053","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051369","10.404","0.014","18.94","0.02","11.673","0.014","90","","105.8","0.01","90","","2213","5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Pal, Pankaj K.; Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar","Metal-assisted electrocyclic reaction in a CN–NC–CN system","New Journal of Chemistry","2000","24","12","931","","10.1039/b006547l","","","0.71073","MoKα","","0.1218","0.0695","","","0.1867","0.2214","","","","","","1.035","","","","has coordinates","301851","2025-08-21","20:32:38",""
"7051370","13.785","0.015","16.86","0.019","20.91","0.02","90","","102.037","0.01","90","","4753","9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 F12 N8 O P2 Ru -","- C44 H30 F12 N8 O P2 Ru -","- C176 H120 F48 N32 O4 P8 Ru4 -","4","1","","Pal, Pankaj K.; Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar","Metal-assisted electrocyclic reaction in a CN‒NC‒CN system","New Journal of Chemistry","2000","24","12","931","","10.1039/b006547l","","","0.71073","MoKα","","0.2252","0.1137","","","0.2809","0.3301","","","","","","1.073","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051371","16.9221","0.0007","11.4251","0.0004","8.6147","0.0003","90","","90","","90","","1665.54","0.11","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H8 Co N8 -","- C14 H8 Co N8 -","- C56 H32 Co4 N32 -","4","0.5","","Sun, Bai-Wang; Gao, Song; Ma, Bao-Qing; Wang, Zhe-Ming","A two-fold interpenetrated three-dimensional cobalt(II) complex with dual dicyanamide and 4,4'-bipyridine bridges","New Journal of Chemistry","2000","24","12","953","","10.1039/b006602h","","","0.71073","MoKα","","0.097","0.0772","","","0.2543","0.2644","","","","","","1.179","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051372","33.672","0.002","12.308","0.0011","16.5","0.0013","90","","111.932","0.004","90","","6343.3","0.9","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Sm -","- C34 H58 Sm -","- C272 H464 Sm8 -","8","1","","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",""
"7051373","8.498","0.002","28.893","0.005","10.265","0.001","90","","112.641","0.01","90","","2326.2","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Sm -","- C25 H37 Sm -","- C100 H148 Sm4 -","4","1","","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",""
"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",""
"7051375","8.884","0.003","11.352","0.004","16.041","0.006","93.353","0.008","92.003","0.008","97.681","0.011","1599","1","111","2","111","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H52 O P2 Ru -","- C31 H52 O P2 Ru -","- C62 H104 O2 P4 Ru2 -","2","1","","Coalter, Joseph N.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G.","R-Group reversal of isomer stability for RuH(X)L2(CCHR) vs. Ru(X)L2(CCH2R): access to four-coordinate ruthenium carbenes and carbynes","New Journal of Chemistry","2000","24","12","925","","10.1039/b006971j","","","0.71073","MoKα","","0.0912","0.0553","","","0.1326","0.1401","","","","","","0.911","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051376","10.993","0.001","10.993","0.001","21.554","0.002","90","","90","","120","","2255.8","0.4","298.2","","298.2","","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C35 H45 N8 Nd O18 -","- C35 H42 N8 Nd O18 -","- C70 H84 N16 Nd2 O36 -","2","0.333333","","Po-Wan Lai, Winnie; Wong, Wing-Tak","Trinitrato[N,N',N″-tris(2,3-dimethoxybenzamido)triethylamine]- neodymium(III). Synthesis, crystal structure and luminescence of a Nd complex containing tripodal amide ligands","New Journal of Chemistry","2000","24","12","943","","10.1039/b006976k","","","0.7107","MoKalpha","","","0.0422","","","0.0435","","","","","1.242","1.242","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051377","11.45","0.002","14.76","0.001","17.806","0.003","90","","96.54","0.02","90","","2989.7","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Co2 N5 O8 -","- C30 H34 Co2 N5 O8 -","- C120 H136 Co8 N20 O32 -","4","1","","Hemmert, Catherine; Gornitzka, Heinz; Meunier, Bernard","Unprecedented amido-bridged dinuclear mixed-valence cobalt complexes: first structure of a dinuclear μ-OMe Co(II)/Co(III) complex","New Journal of Chemistry","2000","24","12","949","","10.1039/b007907n","","","0.71073","MoKα","","0.0618","0.0418","","","0.096","0.1039","","","","","","1.016","","","","has coordinates,has disorder","301851","2025-08-21","20:32:38",""
"7051378","9.808","0.001","16.784","0.002","17.036","0.002","90","","102.02","0.01","90","","2742.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 Cl3 Co2 N5 O2 -","- C26 H29 Cl3 Co2 N5 O2 -","- C104 H116 Cl12 Co8 N20 O8 -","4","1","","Hemmert, Catherine; Gornitzka, Heinz; Meunier, Bernard","Unprecedented amido-bridged dinuclear mixed-valence cobalt complexes: first structure of a dinuclear μ-OMe Co(II)/Co(III) complex","New Journal of Chemistry","2000","24","12","949","","10.1039/b007907n","","","0.71073","MoKα","","0.0432","0.0312","","","0.0699","0.0742","","","","","","1.033","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051379","11.427","0.003","12.785","0.003","12.989","0.003","66.8","0.03","89.43","0.03","70.24","0.03","1624.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Co N5 O10 -","- C30 H40 Co N5 O10 -","- C60 H80 Co2 N10 O20 -","2","1","","Hemmert, Catherine; Gornitzka, Heinz; Meunier, Bernard","Unprecedented amido-bridged dinuclear mixed-valence cobalt complexes: first structure of a dinuclear μ-OMe Co(II)/Co(III) complex","New Journal of Chemistry","2000","24","12","949","","10.1039/b007907n","","","0.71073","MoKα","","0.0939","0.0622","","","0.162","0.1817","","","","","","0.97","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7051380","25.101","0.006","14.916","0.003","17.108","0.004","90","","107.11","0.02","90","","6122","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H61 Cl13 N6 Ti2 -","- C46 H61 Cl13 N6 Ti2 -","- C184 H244 Cl52 N24 Ti8 -","4","0.5","","Carmalt, Claire J.; Mileham, John D.; White, Andrew J. P.; Williams, David J.","Synthesis and characterisation of a bridging nitrido complex of titanium","New Journal of Chemistry","2000","24","12","929","","10.1039/b008211m","","","1.54178","CuKα","","0.0827","0.0664","","0.1897","0.1702","","","","1.048","1.084","1.084","","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7052466","11.726","0.003","8.518","0.003","20.943","0.006","90","","91.31","0.02","90","","2091.3","1.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-diphenyl-3,6,9-trioxaundecanedicarboxamide","","- C20 H28 N2 O7 -","- C20 H28 N2 O7 -","- C80 H112 N8 O28 -","4","1","","Sylvie Meyer; Rémy Louis; Bernard Metz; Yvette Agnus; Alexandre Varnek; Maurice Gross","Unprecedented role of water in self-assembly of potential molecular tweezers","New J. Chem.","2000","24","6","371","376","10.1039/b001127o","","","1.54184","Cu-Kα","","0.034","0.034","","0.047","","0.047","","","1.439","","","1.485","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052467","12.587","0.006","14.127","0.005","11.423","0.006","92.14","0.04","112.82","0.04","111.2","0.03","1707.8","1.6","293.2","","293.2","","","","","","","","-","7","P -1","-P 1","2","","","","- C65 H58 Cl10 N2 O2 P4 Ru -","- C65 H56 Cl10 N2 O2 P4 Ru0.5 -","- C65 H56 Cl10 N2 O2 P4 Ru0.5 -","1","0.5","","Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.","Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure","New Journal of Chemistry","2000","24","6","429","","10.1039/b001458n","","","0.7107","MoKα","","0.0874","0.0874","","0.1186","","0.1186","","","6.086","","","6.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052513","17.802","0.004","14.255","0.004","12.199","0.003","90","","129.34","0.01","90","","2394.2","1.1","173","0.1","173","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H29 Cl N2 O10 -","- C23 H29 Cl N2 O10 -","- C92 H116 Cl4 N8 O40 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","0.71073","MoKα","","0.0582","0.042","","","0.115","0.1208","","","","","","1.182","","","","has coordinates","210947","2020-10-21","18:00:00",""
"7052514","17.804","0.001","14.131","0.001","12.317","0.001","90","","129.003","0.003","90","","2408.1","0.3","173","0.1","173","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H29 Cl N2 O10 -","- C23 H29 Cl N2 O10 -","- C92 H116 Cl4 N8 O40 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","0.71073","MoKα","","0.1318","0.0887","","","0.2289","0.2535","","","","","","1.124","","","","has coordinates","210947","2020-10-21","18:00:00",""
"7109246","4.816","","4.816","","4.816","","90","","90","","90","","111.702","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ag O -","- Ag O -","- Ag4 O4 -","4","0.0416667","","Stehlik, B.; Weidenthaler, P.","Kristallstruktur von silber(II)-oxyd","Collection of Czechoslovak Chemical Communication","1959","24","","1416","1419","10.1135/cccc19591416","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7109247","4.904","","4.904","","4.904","","90","","90","","90","","117.937","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Ag2 O3 -","- Ag2 O3 -","- Ag4 O6 -","2","0.0416667","","Stehlik, B.; Vlach, J.; Weidenthaler, P.","Kristallstruktur von Silber(III)-Oxyd","Collection of Czechoslovak Chemical Communication","1959","24","","1581","1588","10.1135/cccc19591581","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7209342","6.81","","6.81","","6.81","","32.05","","32.05","","32.05","","79.024","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","","- Ag In S2 -","- Ag In S2 -","- Ag In S2 -","1","0.0833333","","Keubler, M.; Range, K.J.; Weiss, A.","Eine Hochdruckmodifikation des Ag In S2 mit alpha-Na Fe O2-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","1060","1061","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221175","6.281","","6.281","","6.281","","90","","90","","90","","247.791","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Li2 Ga Si","","- Ga Li2 Si -","- Ga Li2 Si -","- Ga4 Li8 Si4 -","4","0.0208333","","Schuster, H.U.; Bockelmann, E.","Ternaere Lithiumverbindungen des Indiums und Galliums mit Elementen der 4. Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","1189","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221348","7.94","","7.94","","7.94","","90","","90","","90","","500.566","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","(N H4)3 Sb S4","","- H12 N3 S4 Sb -","- H12 N3 S4 Sb -","- H24 N6 S8 Sb2 -","2","0.0416667","","Graf, H.; Schaefer, H.; Weiss, A.","Die Kristallstruktur des Ammoniumtetrathioantimonats (N H4 )3 Sb S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","1345","1346","","","","","","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221349","5.393","","5.393","","15.084","","90","","90","","120","","379.934","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Li7 (Sb O6)","","- Li7 O6 Sb -","- Li7 O6 Sb -","- Li21 O18 Sb3 -","3","0.333333","","Hauck, J.","Zur Kristallstruktur des Li7 Sb O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","252","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221365","10.59","","10.59","","10.59","","90","","90","","90","","1187.65","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zn In2 S4","","- In2 S4 Zn -","- In2 S4 Zn -","- In16 S32 Zn8 -","8","0.0416667","","Range, K.J.; Becker, W.; Weiss, A.","Eine Hochdruckphase des Zn In2 S4 mit Spinellstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","811","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222841","10.3","","10.3","","10.3","","90","","90","","90","","1092.73","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- K8 Si46 -","- K8 Si46 -","- K8 Si46 -","1","0.0208333","","Gallmeier, J.; Schaefer, H.; Weiss, A.","Eine Kaefigstruktur als gemeinsames Bauprinzip der Verbindungen K8 E46 (E = Si, Ge, Sn)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","665","667","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222842","10.71","","10.71","","10.71","","90","","90","","90","","1228.48","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","K8 Ge46","","- Ge46 K8 -","- Ge46 K8 -","- Ge46 K8 -","1","0.0208333","","Gallmeier, J.; Schaefer, H.; Weiss, A.","Eine Kaefigstruktur als gemeinsames Bauprinzip der Verbindungen K8 E46 (E = Si, Ge, Sn)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","665","667","","","","","","","","","","","","","","","","","","","","","","has coordinates","165402","2020-10-21","18:00:00",""
"7222843","12.03","","12.03","","12.03","","90","","90","","90","","1740.99","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- K8 Sn46 -","- K8 Sn46 -","- K8 Sn46 -","1","0.0208333","","Gallmeier, J.; Weiss, A.; Schaefer, H.","Eine Kaefigstruktur als gemeinsames Bauprinzip der Verbindungen K8 E46 (E = Si, Ge Sn)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","665","667","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222845","8.902","","2.879","","4.09","","90","","90","","90","","104.822","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Li6 W O6","","- Li4 O6 W -","- Li4 O6 W -","- Li4 O6 W -","1","0.0625","","Hauck, J.","Zur Kristallstruktur des Li6 W O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","251","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222846","7.922","","7.922","","6.956","","90","","90","","120","","378.059","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li6 (Te O6)","","- Li6 O6 Te -","- Li6 O6 Te -","- Li18 O18 Te3 -","3","0.166667","","Hauck, J.","Zur Kristallstruktur des Li6 Te O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","647","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222872","4.27","","4.27","","4.54","","90","","90","","120","","71.687","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","(Sr7 Li4 Si10)0.1429","","- Li0.5716 Si1.429 Sr1.0003 -","- Li0.57 Si1.43 Sr -","- Li0.57 Si1.43 Sr -","1","0.0833333","","Mueller, W.; Schaefer, H.; Weiss, A.","Zur Kenntnis der Phase Sr7 Li4 Si10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","650","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","166817","2020-10-21","18:00:00",""
"7222912","4.78","","4.78","","4.78","","90","","90","","90","","109.215","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ge V3 -","- Ge V3 -","- Ge2 V6 -","2","0.0416667","","Mueller, A.","Supraleitung von A15-Phasen der Systeme V-Al-Ga, V-Si-Al, V-Ge-Al und V-Sb-Al","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1969","24","","1134","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222930","6.676","","6.676","","6.676","","90","","90","","90","","297.542","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- In Li Sn -","- In Li Sn -","- In4 Li4 Sn4 -","4","0.0416667","","Schuster, H.U.; Bockelmann, E.","Ternaere Lithiumverbindungen des Indiums ud Galliums mit Elementen der 4. Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","1189","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7243734","7.0314","0.0003","10.5042","0.0004","10.5476","0.0004","61.155","0.001","87.596","0.002","71.433","0.001","640.99","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0178","0.0161","","","0.0375","0.0381","","","","","","1.062","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34",""
"7243735","7.1834","0.0008","7.7618","0.0008","10.873","0.0012","89.66","0.004","76.812","0.004","71.301","0.003","557.61","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0172","0.0144","","","0.028","0.0289","","","","","","1.099","","","","has coordinates","272624","2022-02-04","19:23:34",""
"7243736","20.419","0.001","10.2159","0.0006","12.8155","0.0007","90","","99.731","0.002","90","","2634.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N12 O Pb2 S4 -","- C18 H22 N12 O Pb2 S4 -","- C72 H88 N48 O4 Pb8 S16 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0248","0.0186","","","0.034","0.0353","","","","","","1.057","","","","has coordinates","272624","2022-02-04","19:23:34",""
"7243737","20.5481","0.0007","10.7642","0.0003","12.7256","0.0004","90","","97.74","0.001","90","","2789.05","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 N12 O8 Pb2 S2 -","- C17 H26 N12 O8 Pb2 S2 -","- C68 H104 N48 O32 Pb8 S8 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0212","0.0173","","","0.0366","0.0376","","","","","","1.064","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34",""
"7243811","13.2618","0.0009","8.7178","0.0006","13.2822","0.0009","90","","109.205","0.002","90","","1450.14","0.17","110","","110","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H40 N14 Ni2 -","- C16 H40 N14 Ni2 -","- C32 H80 N28 Ni4 -","2","0.25","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0673","0.0587","","","0.1399","0.1486","","","","","","1.115","","","","has coordinates,has disorder","272603","2022-02-04","19:18:06",""
"7243812","22.9171","0.0016","22.9171","0.0016","15.2853","0.0011","90","","90","","120","","6952.2","0.8","110","","110","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H20 N6 Ni S2 -","- C10 H20 N6 Ni S2 -","- C180 H360 N108 Ni18 S36 -","18","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0527","0.0486","","","0.1178","0.1217","","","","","","1.068","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243813","12.842","0.0006","14.8998","0.0006","16.5728","0.0007","90","","90","","90","","3171.1","0.2","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 N10 Ni -","- C12 H20 N10 Ni -","- C96 H160 N80 Ni8 -","8","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0557","0.0485","","","0.1524","0.1623","","","","","","1.079","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243814","12.8292","0.0009","13.3387","0.001","18.2848","0.0014","90","","90","","90","","3129","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N6 S2 -","- C10 H20 Cu N6 S2 -","- C80 H160 Cu8 N48 S16 -","8","2","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.1357","0.0616","","","0.0683","0.0818","","","","","","1.007","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243815","9.5813","0.0006","9.5813","0.0006","7.5171","0.0005","90","","90","","90","","690.08","0.08","300","2","300","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H20 Br2 Cu N4 -","- C8 H20 Br2 Cu N4 -","- C16 H40 Br4 Cu2 N8 -","2","0.125","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","","0.71073","MoKα","","0.0468","0.0288","","","0.0327","0.035","","","","","","1.064","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243816","8.3568","0.0004","14.4655","0.0007","11.2207","0.0005","90","","92.8489","0.0012","90","","1354.74","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cu N10 -","- C8 H20 Cu N10 -","- C32 H80 Cu4 N40 -","4","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0268","0.022","","","0.0525","0.0547","","","","","","1.076","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243817","15.1276","0.0011","8.9116","0.0007","11.1889","0.0008","90","","90","","90","","1508.39","0.19","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H23 Br N4 Ni O2 -","- C10 H23 Br N4 Ni O2 -","- C40 H92 Br4 N16 Ni4 O8 -","4","0.5","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0548","0.0434","","","0.0814","0.0862","","","","","","1.182","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243889","11.4556","0.0003","26.8887","0.0007","9.5696","0.0003","90","","91.164","0.002","90","","2947.08","0.14","103","5","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lumifantrine-Fumaric Acid 2:1 salt","2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol - (2E)-but-2-enedioic acid","","- C32 H34 Cl3 N O3 -","- C32 H34 Cl3 N O3 -","- C128 H136 Cl12 N4 O12 -","4","1","","Tomar, Devendrasingh; Lodagekar, Anurag; Gunnam, Anilkumar; Allu, Suryanarayana; Chavan, Rahul B.; Tharkar, Minakshi; Ajithkumar, T. G.; Nangia, Ashwini K.; Shastri, Nalini R.","The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine","CrystEngComm","2022","24","1","156","168","10.1039/D0CE01709D","","","0.71073","MoKα","","0.0692","0.0554","","","0.1315","0.1389","","","","","","1.023","","","","has coordinates,has disorder","272601","2022-02-04","19:17:40",""
"7243890","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243891","9.0815","0.0018","19.394","0.004","14.389","0.003","90","","101.562","0.003","90","","2482.9","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C24 H26 Cd N4 O6 -","- C24 H26 Cd N4 O6 -","- C96 H104 Cd4 N16 O24 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0568","0.0441","","","0.1213","0.1308","","","","","","1.049","","","","has coordinates,has disorder","272599","2022-02-04","19:17:28",""
"7243892","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.6","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243904","7.9191","0.0004","21.1203","0.0007","8.6696","0.0004","90","","111.691","0.005","90","","1347.35","0.11","299.44","0.18","299.44","0.18","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs3 Ga2 H I8 O25 -","- Cs3 Ga2 H I8 O25 -","- Cs6 Ga4 H2 I16 O50 -","2","0.5","","Wang, Dandan; Jiang, Xiaoqing; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","A new I3O93− group constructed from IO3− and IO55− anion units in Cs3[Ga2O(I3O9)(IO3)4(HIO3)]","CrystEngComm","2022","24","1","77","82","10.1039/D1CE01234G","","","0.71073","MoKα","","0.0369","0.0343","","","0.0765","0.0775","","","","","","1.234","","","","has coordinates,has disorder","272606","2022-02-04","19:18:57",""
"7243909","16.7706","0.0005","9.876","0.0003","30.6219","0.0009","90","","90","","90","","5071.8","0.3","165","","165","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.099","0.0796","","","0.188","0.1986","","","","","","1.119","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243910","16.955","0.003","9.9034","0.0015","30.69","0.006","90","","90","","90","","5153.2","1.6","255","","255","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1519","0.0645","","","0.1437","0.1887","","","","","","1.014","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243911","16.8821","0.001","9.894","0.0005","30.6933","0.0019","90","","90","","90","","5126.7","0.5","225","","225","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1222","0.0773","","","0.2072","0.2385","","","","","","1.084","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243912","17.015","0.006","9.93","0.003","30.709","0.008","90","","90","","90","","5189","3","270","","270","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1511","0.0652","","","0.146","0.1927","","","","","","1.02","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243913","16.9294","0.0017","9.9015","0.0008","30.714","0.003","90","","90","","90","","5148.5","0.8","240","","240","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1608","0.064","","","0.1591","0.2297","","","","","","1.057","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243914","17.064","0.002","9.9101","0.0012","30.823","0.004","90","","90","","90","","5212.4","1.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.171","0.0712","","","0.1615","0.2135","","","","","","1.024","","","","has coordinates","272622","2022-02-04","19:22:45",""
"7243915","16.988","0.004","9.9204","0.0018","30.779","0.006","90","","90","","90","","5187.1","1.8","285","","285","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1616","0.0671","","","0.1496","0.1989","","","","","","1.019","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243916","16.8302","0.0004","9.886","0.0002","30.6702","0.0008","90","","90","","90","","5103","0.2","195","","195","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0957","0.0704","","","0.1609","0.1735","","","","","","1.118","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243917","16.856","0.0004","9.8906","0.0003","30.6845","0.0009","90","","90","","90","","5115.6","0.2","210","","210","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1036","0.0758","","","0.1725","0.1848","","","","","","1.134","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243918","16.8024","0.0004","9.8815","0.0002","30.6532","0.0008","90","","90","","90","","5089.4","0.2","180","","180","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0932","0.0704","","","0.1578","0.1696","","","","","","1.102","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243919","32.7739","0.0005","32.7739","0.0005","73.5789","0.0011","90","","90","","120","","68444.8","1.8","130","2","130","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Mo132 N25.8 O628.56 Se30 -","- Mo132 N25.8 O628.56 Se30 -","- Mo396 N77.4 O1885.68 Se90 -","3","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","x-ray","0.71073","MoKα","","0.1164","0.0698","","","0.2187","0.2442","","","","","","1.149","","","","has coordinates","272623","2022-02-04","19:23:20",""
"7243920","50.337","0.007","50.337","0.007","61.099","0.012","90","","90","","120","","134072","4","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C130.8 H784.8 Cl18 Mo792 N392.4 O3488.4 Se180 -","6","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","","0.79272","synchrotron","","0.1236","0.0921","","","0.2929","0.3187","","","","","","1.211","","","","has coordinates,has disorder","272623","2022-02-04","19:23:20",""
"7243930","16.8783","0.0005","14.9191","0.0003","16.6035","0.0005","90","","108.071","0.003","90","","3974.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","sys-135-2","","- C44 H42 N6 O6 Zn -","- C44 H42 N6 O6 Zn -","- C176 H168 N24 O24 Zn4 -","4","1","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.1223","0.0709","","","0.11","0.1238","","","","","","1.06","","","","has coordinates","272605","2022-02-04","19:18:50",""
"7243931","10.8732","0.0006","15.9024","0.0009","17.0471","0.0007","105.773","0.004","103.099","0.004","91.265","0.004","2751.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","sys-109","","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","1","0.5","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.0543","0.0424","","","0.1056","0.1101","","","","","","1.117","","","","has coordinates,has disorder","272605","2022-02-04","19:18:50",""
"7243956","12.4079","0.0008","20.8937","0.0014","19.4442","0.0012","90","","90.801","0.002","90","","5040.4","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.5 H112.5 N2.5 O41 Yb6 -","- C88 H104 N2 O38 Yb6 -","- C176 H208 N4 O76 Yb12 -","2","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0952","0.0599","","","0.1442","0.1657","","","","","","1.022","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46",""
"7243957","11.3429","0.001","12.4311","0.001","18.5115","0.0014","90","","90","","90","","2610.2","0.4","150","","150","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C25 H32 N3.33 O6.67 Zn -","- C21 H20 N2 O4 Zn -","- C84 H80 N8 O16 Zn4 -","4","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0758","0.0501","","","0.1293","0.1502","","","","","","1.053","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46",""
"7243966","12.9504","0.0007","12.8021","0.0006","6.8288","0.0004","90","","94.149","0.005","90","","1129.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 O6 Tb -","- C13 H6 O6 Tb -","- C52 H24 O24 Tb4 -","4","1","","Qiu, Miao-Miao; Chen, Ke-Fu; Liu, Qi-Rui; Miao, Wei-Ni; Liu, Bing; Xu, Ling","A ratiometric fluorescent sensor made of a terbium coordination polymer for the anthrax biomarker 2,6-dipicolinic acid with on-site detection assisted by a smartphone app","CrystEngComm","2022","24","1","132","142","10.1039/D1CE01256H","","","1.54178","CuKα","","0.0525","0.0456","","","0.1188","0.125","","","","","","1.064","","","","has coordinates","272600","2022-02-04","19:17:34",""
"7243970","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N5 O2 -","- C30 H27 N5 O2 -","- C120 H108 N20 O8 -","4","2","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243971","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272629","2022-02-04","19:24:26",""
"7243972","25.0401","0.0008","13.9581","0.0004","14.3689","0.0004","90","","102.219","0.001","90","","4908.3","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Eu N3 O11 -","- C17 H23 Eu N3 O11 -","- C136 H184 Eu8 N24 O88 -","8","1","","Hang, Meng-Ting; Cheng, Yi; Wang, Yi-Tong; Li, Huan; Zheng, Meng-Qi; He, Ming-Yang; Chen, Qun; Zhang, Zhi-Hui","Rational synthesis of isomorphic rare earth metal–organic framework materials for simultaneous adsorption and photocatalytic degradation of organic dyes in water","CrystEngComm","2022","24","3","552","559","10.1039/D1CE01411K","","","0.71073","MoKα","","0.0678","0.0497","","","0.1093","0.1182","","","","","","1.078","","","","has coordinates","272633","2022-02-04","19:25:29",""
"7243973","8.4045","0.001","8.6975","0.0009","9.854","0.0013","64.455","0.003","86.316","0.004","74.126","0.004","623.92","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ca N2 O7 -","- C11 H10 Ca N2 O7 -","- C22 H20 Ca2 N4 O14 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0904","0.0637","","","0.168","0.1819","","","","","","1.093","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243974","17.7069","0.0008","10.4537","0.0008","9.3801","0.0006","90","","92.379","0.004","90","","1734.78","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Ca N4 O8 -","- C14 H16 Ca N4 O8 -","- C56 H64 Ca4 N16 O32 -","4","0.5","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0419","0.0367","","","0.094","0.0982","","","","","","1.064","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243975","10.628","0.002","13.31","0.003","13.741","0.003","79.741","0.006","73.155","0.006","71.586","0.005","1757.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Ca2 N8 O17 -","- C28 H34 Ca2 N8 O17 -","- C56 H68 Ca4 N16 O34 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.1592","0.1062","","","0.2921","0.3345","","","","","","1.051","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243976","6.7109","0.0003","10.271","0.0004","17.775","0.0007","90","","90","","90","","1225.19","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Ca N2 O5 -","- C11 H10 Ca N2 O5 -","- C44 H40 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0688","0.0594","","","0.1396","0.1436","","","","","","1.199","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243977","7.0098","0.0002","10.9304","0.0003","16.616","0.0005","92.618","0.001","99.659","0.001","102.704","0.001","1219.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C44 H40 Ca4 N8 O20 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0401","0.0325","","","0.0777","0.0821","","","","","","1.045","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243978","6.8835","0.0004","17.9272","0.0011","20.4957","0.0013","90","","90.043","0.003","90","","2529.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C88 H80 Ca8 N16 O40 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0788","0.055","","","0.1364","0.1487","","","","","","1.067","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243980","19.824","0.0007","13.4404","0.0005","13.6238","0.0005","90","","119.291","0.001","90","","3165.9","0.2","199","2","199","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl In N O7 -","- C14 H13 Cl In N O7 -","- C112 H104 Cl8 In8 N8 O56 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0208","0.0205","","","0.0485","0.0487","","","","","","1.09","","","","has coordinates","272625","2022-02-04","19:23:44",""
"7243981","19.849","0.002","13.4206","0.0015","13.6014","0.0015","90","","119.38","0.002","90","","3157.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 In N2 O9 -","- C14 H11 In N2 O9 -","- C112 H88 In8 N16 O72 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0799","0.0709","","","0.1605","0.1648","","","","","","1.192","","","","has coordinates,has disorder","272625","2022-02-04","19:23:44",""
"7243990","11.8741","0.0005","8.4164","0.0003","12.6736","0.0006","90","","90","","90","","1266.56","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Cl N O4 -","- C8 H24 Cl N O4 -","- C32 H96 Cl4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0366","0.0359","","","0.1005","0.1013","","","","","","1.042","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243991","7.242","0.0003","10.069","0.0004","14.7992","0.0006","90","","100.379","0.002","90","","1061.5","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cl N O2 -","- C9 H16 Cl N O2 -","- C36 H64 Cl4 N4 O8 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0302","0.027","","","0.0713","0.0735","","","","","","1.045","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243992","7.5628","0.0002","9.9033","0.0003","25.3929","0.0007","90","","90","","90","","1901.84","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl2 N O2 -","- C5 H15 Cl2 N O2 -","- C40 H120 Cl16 N8 O16 -","8","2","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0189","0.0187","","","0.0492","0.0493","","","","","","1.063","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243993","12.0887","0.0006","8.5504","0.0005","12.7308","0.0007","90","","90","","90","","1315.9","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Br N O4 -","- C8 H24 Br N O4 -","- C32 H96 Br4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0219","0.0198","","","0.0422","0.0429","","","","","","1.023","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243994","7.5119","0.0001","7.5163","0.0002","17.4195","0.0003","90","","101.945","0.002","90","","962.24","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Shan, Loke Pei; Gupta, Krishna M.","Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal","CrystEngComm","2022","24","3","560","570","10.1039/D1CE01352A","","x-ray","1.54184","CuKα","","0.0449","0.0438","","","0.1075","0.1091","","","","","","1.052","","","","has coordinates","272628","2022-02-04","19:24:18",""
"7243995","19.7947","0.0004","9.4219","0.0002","3.5826","0.0001","90","0.0016","98.7506","0.0016","90","0.0017","660.39","0.03","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","0.5","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0562","0.0539","","","0.0732","0.0734","","","","4.4","4.4","4.14","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7243996","19.7858","0.0008","9.397","0.0005","3.5684","0.0002","89.986","0.004","98.729","0.004","89.982","0.004","655.78","0.06","20","","20","","","","","","","","","4","C 1","C 1","1","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0537","0.0479","","","0.0622","0.0625","","","","3.96","3.96","3.73","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7243997","16.733","0.0005","12.1818","0.0003","17.9613","0.0005","90","","91","0.002","90","","3660.64","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H41 Co F3 N5 O12 S -","- C34 H41 Co F3 N5 O12 S -","- C136 H164 Co4 F12 N20 O48 S4 -","4","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0471","0.0413","","","0.0885","0.0927","","","","","","1.031","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7243998","12.5531","0.0004","13.0741","0.0004","14.6993","0.0005","68.163","0.003","65.87","0.003","64.215","0.003","1926.33","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","1","0.5","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","1.54178","CuKα","","0.0448","0.0374","","","0.0989","0.1062","","","","","","1.046","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7243999","11.0416","0.0003","11.7979","0.0004","14.2305","0.0003","104.917","0.002","98.643","0.002","113.012","0.003","1581.79","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30.54 F3 N5 Ni O8.27 S -","- C31 H28 F3 N5 Ni O8.272 S -","- C62 H56 F6 N10 Ni2 O16.544 S2 -","2","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0706","0.0475","","","0.1103","0.1221","","","","","","1.03","","","","has coordinates,has disorder","272602","2022-02-04","19:17:49",""
"7244014","20.3991","0.0005","15.4857","0.0003","30.0422","0.0005","90","","90","","90","","9490.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56.25 H45.25 N10.75 O1.75 -","- C51 H33 N9 -","- C408 H264 N72 -","8","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","1.34143","GaKα","","0.0746","0.0515","","","0.152","0.1612","","","","","","0.964","","","","has coordinates","272639","2022-02-04","19:27:25",""
"7244015","19.889","0.004","21.178","0.004","34.375","0.007","90","","104.32","0.03","90","","14029","5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H80.1 Cl1.2 Cu3 F36 N9 O12 -","- C117.8 H75.3 Cl1.2 Cu3 F36 N9 O12 -","- C471.2 H301.2 Cl4.8 Cu12 F144 N36 O48 -","4","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","0.72083","synchrotron","","0.2092","0.1912","","","0.4998","0.5408","","","","","","1.177","","","","has coordinates,has disorder","272639","2022-02-04","19:27:25",""
"7244016","22.82","0.003","11.9888","0.0015","22.879","0.003","90","","111.912","0.004","90","","5807.2","1.3","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C128 H288 Br56 Mo24 N8 -","4","1","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.141","0.0643","","","0.1373","0.1684","","","","","","0.957","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12",""
"7244017","13.0071","0.001","11.6664","0.0009","19.0278","0.0014","90","","90.481","0.003","90","","2887.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.0792","0.0644","","","0.166","0.177","","","","","","1.027","","","","has coordinates","272627","2022-02-04","19:24:12",""
"7244018","13.1355","0.0004","11.7629","0.0003","18.9747","0.0006","90","","90.737","0.001","90","","2931.57","0.15","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.073","0.0416","","","0.0914","0.1031","","","","","","1.035","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12",""
"7244019","17.6067","0.0004","17.6067","0.0004","29.9221","0.0015","90","","90","","90","","9275.7","0.6","293","2","296.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H60 Mo12 N36 Ni7 O60 P -","- C24 H60 Mo12 N36 Ni7 O60 P -","- C96 H240 Mo48 N144 Ni28 O240 P4 -","4","0.25","","Zhuo, Jin-Long; Wang, Yun-Liang; Wang, Yu-Guang; Xu, Ming-Qi; Sha, Jing-Quan","Surfactant-assisted fabrication and supercapacitor performances of a 12-phosphomolybdate-pillared metal–organic framework containing a helix and its SWNT nanocomposites","CrystEngComm","2022","24","3","579","586","10.1039/D1CE01471D","","","0.71073","MoKα","","0.0878","0.053","","","0.1372","0.163","","","","","","1.054","","","","has coordinates","272631","2022-02-04","19:24:49",""
"7244020","14.767","0.003","16.296","0.003","18.365","0.003","71.143","0.004","87.189","0.004","84.839","0.004","4164.3","1.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","1","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.1609","0.0798","","","0.1859","0.2351","","","","","","0.999","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244021","12.1279","0.0015","21.743","0.003","21.136","0.003","90","","102.364","0.002","90","","5444.2","1.3","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 Co Mo24 N24 O82 Si2 -","- C52 H66 Co Mo24 N24 O82 Si2 -","- C104 H132 Co2 Mo48 N48 O164 Si4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0497","0.0345","","","0.0653","0.0705","","","","","","1.107","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244022","13.7397","0.0009","10.2909","0.0007","17.8945","0.0012","90","","105.235","0.001","90","","2441.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Co3 Mo6 N12 O32 Te -","- C26 H44 Co3 Mo6 N12 O32 Te -","- C52 H88 Co6 Mo12 N24 O64 Te2 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.046","0.0297","","","0.0604","0.0661","","","","","","1.015","","","","has coordinates","272635","2022-02-04","19:26:19",""
"7244023","23.2769","0.0007","13.9736","0.0004","19.3429","0.0006","90","","90","","90","","6291.5","0.3","296.15","","296.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C104 H164 Cu10 Mo44 N48 O178 P4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0597","0.0437","","","0.1062","0.1173","","","","","","1.084","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244024","12.2348","0.0007","13.557","0.0008","13.8907","0.0008","110.677","0.001","110.381","0.001","98.307","0.001","1924.4","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H34 Cr Cu Mo6 N7 O31 -","- C12 H34 Cr Cu Mo6 N7 O31 -","- C24 H68 Cr2 Cu2 Mo12 N14 O62 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.064","0.0381","","","0.0764","0.086","","","","","","1.009","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244025","19.0455","0.0016","14.5002","0.0012","23.178","0.002","90","","95.835","0.001","90","","6367.8","0.9","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Co2 N12 O45.5 P W11 -","- C26 H52 Co2 N12 O45.5 P W11 -","- C104 H208 Co8 N48 O182 P4 W44 -","4","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0478","0.0285","","","0.0556","0.062","","","","","","1.042","","","","has coordinates","272635","2022-02-04","19:26:19",""
"7244026","8.3059","0.0003","10.2707","0.0004","27.0831","0.001","90.502","0.001","95.784","0.001","112.687","0.001","2117.91","0.14","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C26 H74 Co4 Mo12 N12 Na2 O70 Te2 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0576","0.0386","","","0.0867","0.0945","","","","","","1.054","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244027","10.8269","0.0005","10.8269","0.0005","32.0261","0.0019","90","","90","","120","","3251.2","0.3","149.7","0.5","149.7","0.5","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.66 N24 Ru0.34 -","- C24 H48 B2 F8 Fe0.659 N24 Ru0.341 -","- C72 H144 B6 F24 Fe1.977 N72 Ru1.023 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","0.71073","MoKα","","0.0604","0.0475","","","0.1129","0.1222","","","","","","1.054","","","","has coordinates,has disorder","272786","2022-02-04","20:04:21",""
"7244028","10.7344","0.0004","10.7344","0.0004","32.0067","0.0016","90","","90","","120","","3193.9","0.2","80","0.6","80","0.6","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.66 N24 Ru0.34 -","- C24 H48 B2 F8 Fe0.661 N24 Ru0.339 -","- C72 H144 B6 F24 Fe1.983 N72 Ru1.017 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","0.71073","MoKα","","0.0361","0.0301","","","0.0614","0.064","","","","","","1.121","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244029","10.79309","0.00013","10.79309","0.00013","32.1264","0.0004","90","","90","","120","","3241.04","0.07","149","2","149","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Ru -","- C24 H48 B2 F8 N24 Ru -","- C72 H144 B6 F24 N72 Ru3 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","1.54184","CuKα","","0.0305","0.0305","","","0.0814","0.0814","","","","","","1.059","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244030","10.77425","0.00013","10.77425","0.00013","31.8415","0.0005","90","","90","","120","","3201.09","0.07","81","2","81","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Ru -","- C24 H48 B2 F8 N24 Ru -","- C72 H144 B6 F24 N72 Ru3 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","1.54184","CuKα","","0.0244","0.0244","","","0.0589","0.0589","","","","","","1.084","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244031","11.7827","0.0003","10.88012","0.00019","16.3802","0.0003","90.9202","0.0014","99.0617","0.0017","89.4706","0.0017","2073.37","0.08","80","0.5","80","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 B2 F8 N24 Ru -","- C24 H48 B2 F8 N24 Ru -","- C48 H96 B4 F16 N48 Ru2 -","2","1","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","1.54184","CuKα","","0.082","0.0714","","","0.2117","0.2277","","","","","","1.091","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244034","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N5 O2 -","- C30 H27 N5 O2 -","- C120 H108 N20 O8 -","4","2","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7244035","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272604","2022-02-04","19:18:18",""
"7244036","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","272611","2022-02-04","19:19:52",""
"7244038","7.3849","0.0001","8.0981","0.0002","11.1254","0.0002","72.216","0.002","84.21","0.002","74.767","0.002","611.13","0.02","299.78","0.1","299.78","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C26 H18 Cl4 N2 O4 -","2","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0407","0.0398","","","0.1121","0.1132","","","","","","1.034","","","","has coordinates","272638","2022-02-04","19:26:55",""
"7244039","11.6672","0.00018","7.4166","0.0001","15.6676","0.0003","90","","108.305","0.0017","90","","1287.13","0.04","300.43","0.1","300.43","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.046","0.0424","","","0.1222","0.1255","","","","","","1.069","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244040","12.4611","0.0003","6.86735","0.00012","15.5404","0.0003","90","","110.487","0.002","90","","1245.75","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C52 H36 Cl8 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0436","0.0402","","","0.1131","0.1167","","","","","","1.086","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244041","14.2255","0.0002","24.628","0.0003","8.1632","0.0001","90","","99.282","0.001","90","","2822.49","0.06","259.6","0.6","259.6","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl4 N3 O4 -","- C28 H25 Cl4 N3 O4 -","- C112 H100 Cl16 N12 O16 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0548","0.0492","","","0.1291","0.1335","","","","","","1.033","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244042","6.5565","0.0001","17.6948","0.0004","12.4912","0.0003","90","","102.335","0.0006","90","","1415.72","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H5 N7 O8 -","- C11.9994 H5 N6.9994 O7.9994 -","- C47.9976 H20 N27.9976 O31.9976 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0813","0.0628","","","0.1475","0.1623","","","","","","1.039","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244043","12.0783","0.0003","12.3615","0.0003","12.6822","0.0003","107.053","0.001","95.261","0.001","112.021","0.001","1634.2","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H4 N20 O22 -","- C24 H4 N20 O22 -","- C48 H8 N40 O44 -","2","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0981","0.0696","","","0.1803","0.204","","","","","","1.093","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244044","7.1886","0.0008","17.2834","0.0019","12.4782","0.0014","90","","94.337","0.003","90","","1545.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N8 O10 -","- C12 H4 N8 O10 -","- C48 H16 N32 O40 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.1003","0.0802","","","0.2155","0.2348","","","","","","1.068","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244045","10.9525","0.0003","12.9657","0.0004","20.7069","0.0007","90","","103.542","0.003","90","","2858.77","0.16","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C144 H104 N24 -","8","1","","Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie","Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings","Green Chemistry","2022","24","2","837","845","10.1039/D1GC03587H","","x-ray","1.54184","CuKα","","0.0544","0.0439","","","0.1125","0.123","","","","","","1.043","","","","has coordinates","272704","2022-02-04","19:51:00",""
"7244046","8.5331","0.0006","9.1322","0.0006","11.9513","0.001","77.749","0.006","79.907","0.007","65.413","0.007","823.62","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N2 O2 -","- C19 H15 Br N2 O2 -","- C38 H30 Br2 N4 O4 -","2","1","","Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie","Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings","Green Chemistry","2022","24","2","837","845","10.1039/D1GC03587H","","x-ray","1.54184","CuKα","","0.0491","0.0372","","","0.0835","0.0907","","","","","","1.041","","","","has coordinates","272704","2022-02-04","19:51:00",""
"7244047","7.5372","0.0007","7.833","0.0005","13.1572","0.0011","81.704","0.006","86.697","0.007","83.076","0.006","762.41","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C38 H30 N6 O2 -","2","1","","Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie","Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings","Green Chemistry","2022","24","2","837","845","10.1039/D1GC03587H","","x-ray","1.54184","CuKα","","0.066","0.0466","","","0.1078","0.122","","","","","","1.061","","","","has coordinates","272704","2022-02-04","19:51:00",""
"7244048","17.7291","0.0006","7.5614","0.0002","8.1518","0.0002","90","","102.867","0.003","90","","1065.36","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hu, Deqing; Jiang, Xuefeng","Stepwise benzylic oxygenation via uranyl-photocatalysis","Green Chemistry","2022","24","1","124","129","10.1039/D1GC04042A","","x-ray","1.54184","CuKα","","0.0559","0.0499","","","0.1432","0.1488","","","","","","1.075","","","","has coordinates","272702","2022-02-04","19:50:48",""
"7244051","13.0104","0.0005","7.1278","0.0003","17.3503","0.0007","90","","90","","90","","1608.99","0.11","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Cl]n","","- C6 H4 Cl N O3 Pb -","- C6 H4 Cl N O3 Pb -","- C48 H32 Cl8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0283","0.0255","","","0.0707","0.0746","","","","","","1.173","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244052","13.7536","0.0004","6.8778","0.0002","17.8671","0.0005","90","","90","","90","","1690.13","0.08","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)I]n","","- C6 H4 I N O3 Pb -","- C6 H4 I N O3 Pb -","- C48 H32 I8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0225","0.0195","","","0.049","0.0503","","","","","","1.116","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244053","13.2594","0.0007","7.0293","0.0004","17.5526","0.0009","90","","90","","90","","1635.98","0.15","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Br)n","","- C6 H4 Br N O3 Pb -","- C6 H4 Br N O3 Pb -","- C48 H32 Br8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0231","0.0197","","","0.0495","0.051","","","","","","1.106","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244055","19.4078","0.0001","19.4078","0.0001","23.1536","0.0002","90","","90","","120","","7552.69","0.09","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C30 H50 Cl2 Eu2 N2 O20 -","- C30 H49.9998 Cl2 Eu2 N2 O20 -","- C180 H299.999 Cl12 Eu12 N12 O120 -","6","1","","Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan","Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption","CrystEngComm","2022","24","6","1156","1160","10.1039/D1CE01244D","","","0.71073","MoKα","","0.0341","0.0295","","","0.068","0.0704","","","","","","1.072","","","","has coordinates,has disorder","273354","2022-03-04","22:08:12",""
"7244056","8.409","0.002","16.64","0.001","11.274","0.001","90","","101.37","0.02","90","","1546.6","0.4","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","Sulfathiazole, diethylmalonate solvate","Sulfathiazole, diethylmalonate (2:1) solvate","","- C25 H30 N6 O8 S4 -","- C25 H30 N6 O8 S4 -","- C50 H60 N12 O16 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0406","0.0396","","","0.1131","0.1141","","","","","","1.055","","","","has coordinates","272632","2022-02-04","19:25:18",""
"7244057","8.523","0.002","21.073","0.004","9.087","0.002","90","","96.54","0.03","90","","1621.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sebaconitrile solvate","Sulfathiazole, 1,10-decanedinitrile (2:1) solvate","","- C28 H34 N8 O4 S4 -","- C28 H34 N8 O4 S4 -","- C56 H68 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1026","0.0495","","","0.1015","0.1188","","","","","","0.988","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244058","8.783","0.001","14.728","0.004","23.8","0.005","90","","98.46","0.01","90","","3045.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclooctanone solvate","Sulfathiazole, cyclooctanone (2:1) solvate","","- C26 H32 N6 O5 S4 -","- C26 H32 N6 O5 S4 -","- C104 H128 N24 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1367","0.0691","","","0.166","0.1863","","","","","","0.918","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244059","8.636","0.002","19.187","0.004","9.354","0.002","90","","91.03","0.03","90","","1549.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, gamma-butyrolactone","Sulfathiazole, 4-butyrolactone (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0978","0.0554","","","0.1593","0.1754","","","","","","1.118","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244060","8.416","0.002","17.394","0.003","10.342","0.002","90","","104.7","0.03","90","","1464.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, diethyloxalate solvate","Sulfathiazole, oxalic acid diethyl ester (2:1) solvate","","- C24 H28 N6 O8 S4 -","- C24 H28 N6 O8 S4 -","- C48 H56 N12 O16 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1295","0.0605","","","0.1154","0.1296","","","","","","0.791","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244061","8.154","0.002","17.399","0.003","10.077","0.002","90","","101.32","0.03","90","","1401.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, adiponitrile solvate","Sulfathiazole, 1,6-hexanenitrile (2:1) solvate","","- C24 H26 N8 O4 S4 -","- C24 H26 N8 O4 S4 -","- C48 H52 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0415","0.0331","","","0.0821","0.0864","","","","","","1.057","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244062","11.448","0.002","14.224","0.003","15.323","0.003","90","","111.6","0.03","90","","2319.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, caprolactam solvate","Sulfathiazole, hexahydro-2H-azepin-2-one (1:2) solvate","","- C21 H31 N5 O4 S2 -","- C21 H31 N5 O4 S2 -","- C84 H124 N20 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0789","0.0552","","","0.1373","0.152","","","","","","1.029","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244063","8.01","0.002","20.82","0.004","8.99","0.002","90","","94.65","0.03","90","","1494.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, suberonitrile solvate","Sulfathiazole, 1,8-octanedinitrile (2:1) solvate","","- C26 H30 N8 O4 S4 -","- C26 H30 N8 O4 S4 -","- C52 H60 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71069","MoKα","","0.0531","0.0391","","","0.0859","0.093","","","","","","1.072","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244064","6.487","0.003","12.332","0.004","22.259","0.003","90","","94.19","0.03","90","","1775.9","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclohexanone solvate","Sulfathiazole, cyclohexanone (1:1) solvate","","- C15 H19 N3 O3 S2 -","- C15 H19 N3 O3 S2 -","- C60 H76 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1671","0.0832","","","0.2083","0.2309","","","","","","0.818","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244065","8.2478","0.0002","21.0191","0.0006","9.0739","0.0003","90","","96.534","0.001","90","","1562.85","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, butyronitrile solvate","Sulfathiazole, butyronitrile (1:1) solvate","","- C13 H16 N4 O2 S2 -","- C13 H16 N4 O2 S2 -","- C52 H64 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0892","0.0537","","","0.1274","0.1486","","","","","","1.041","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244066","8.051","0.002","11.492","0.002","15.552","0.003","77.45","0.03","88.64","0.02","88.64","0.02","1403.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole, dimethylethyleneurea solvate","Sulfathiazole, 1,3 dimethyl-2-imidazolidone (2:1) solvate","","- C23 H28 N8 O5 S4 -","- C23 H28 N8 O5 S4 -","- C46 H56 N16 O10 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1053","0.0498","","","0.0898","0.1069","","","","","","0.949","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244067","8.606","0.002","21.643","0.004","8.735","0.002","90","","98.76","0.03","90","","1608","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, beta-butyrolactone solvate","Sulfathiazole, 4-methyloxetan-2-one (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0886","0.0534","","","0.1217","0.1381","","","","","","1.029","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244068","6.036","0.001","21.02","0.004","12.791","0.003","90","","94.44","0.03","90","","1618","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sulfalone solvate","Sulfathiazole, tetramethylene sulfone (1:1) solvate","","- C13 H17 N3 O4 S3 -","- C13 H17 N3 O4 S3 -","- C52 H68 N12 O16 S12 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1133","0.0678","","","0.1452","0.1551","","","","","","0.814","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244069","6.613","0.003","12.074","0.003","22.085","0.003","90","","93.44","0.001","90","","1760.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cycloheptanone solvate","Sulfathiazole, cycloheptanone (1:1) solvate","","- C16 H21 N3 O3 S2 -","- C16 H21 N3 O3 S2 -","- C64 H84 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1215","0.1159","","","0.2809","0.2878","","","","","","1.124","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244070","8.363","0.0017","21.146","0.004","9.116","0.0018","90","","95.76","0.03","90","","1604","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, azelanitrile solvate","Sulfathiazole, 1,9-nonanedinitrile (2:1) solvate","","- C27 H32 N8 O4 S4 -","- C27 H32 N8 O4 S4 -","- C54 H64 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1437","0.1259","","","0.2951","0.3033","","","","","","1.216","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244071","8.3551","0.0009","18.88","0.003","10.7764","0.0017","90","","96.79","0.009","90","","1688","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, morpholine-4-carbonitrile solvate","Sulfathiazole, morpholine-4-carbonitrile (1:1) solvate","","- C14 H17 N5 O3 S2 -","- C14 H17 N5 O3 S2 -","- C56 H68 N20 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1879","0.0611","","","0.1112","0.1436","","","","","","0.933","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244072","16.533","0.003","9.996","0.001","19.81","0.002","90","","112.26","0.02","90","","3029.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, N,N'-Dimethylpropylene urea solvate","Sulfathiazole, 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (2:1) solvate","","- C24 H30 N8 O5 S4 -","- C24 H30 N8 O5 S4 -","- C96 H120 N32 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0758","0.0493","","","0.1416","0.1536","","","","","","1.097","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244073","8.4758","0.0003","20.7179","0.0009","9.6108","0.0005","90","","97.84","0.002","90","","1671.89","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, valeronitrile solvate","Sulfathiazole, pentanenitrile (1:1) solvate","","- C14 H18 N4 O2 S2 -","- C14 H18 N4 O2 S2 -","- C56 H72 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.097","0.0509","","","0.1074","0.125","","","","","","0.978","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244074","8.194","0.002","21.111","0.004","9.57","0.002","90","","94.2","0.03","90","","1651","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, alpha-angelica lactone solvate","Sulfathiazole, 5-Methyl-2(3H)-furanone (1:1) solvate","","- C14 H15 N3 O4 S2 -","- C14 H15 N3 O4 S2 -","- C56 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1212","0.0473","","","0.0909","0.1035","","","","","","0.698","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244075","8.417","0.002","20.975","0.004","9.472","0.002","90","","93.83","0.03","90","","1668.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, gamma-valerolactone solvate","Sulfathiazole, (+/-) 5-methyldihydrofuran-2-one (1:1) solvate","","- C14 H17 N3 O4 S2 -","- C14 H17 N3 O4 S2 -","- C56 H68 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1115","0.0494","","","0.1123","0.1265","","","","","","0.968","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244076","8.6785","0.0002","19.911","0.0006","10.0217","0.0003","90","","97.776","0.001","90","","1715.8","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, dodecanedinitrile solvate","Sulfathiazole, 1,12-dodecanedinitrile (2:1) solvate","","- C30 H38 N8 O4 S4 -","- C30 H38 N8 O4 S4 -","- C60 H76 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0575","0.0397","","","0.0956","0.1035","","","","","","1.023","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244077","16.616","0.003","16.088","0.003","12.63","0.003","90","","110.69","0.03","90","","3158.5","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sulfathiazole, N,N-dibutylformamide solvate","Sulfathiazole, N,N-dibutylformamide (2:1) solvate","","- C27 H37 N7 O5 S4 -","- C27 H37 N7 O5 S4 -","- C108 H148 N28 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0439","0.0356","","","0.0819","0.0859","","","","","","1.026","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244078","12.071","0.003","12.071","0.003","12.118","0.002","90","","90","","120","","1529.1","0.6","296","2","296.15","","","","","","","","","7","P 63/m","-P 6c","176","","","","- B9 Cd3 H3 K Na5 O38 P6 -","- B9 Cd3 H3 K Na5 O38 P6 -","- B18 Cd6 H6 K2 Na10 O76 P12 -","2","0.166667","","Feng, Yuquan; Lv, Linxia; Bi, Dongqin; Zhong, Zhiguo; Li, Jing; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan; Meng, Zhaohui","Efficient degradation of reactive brilliant red on the first open-framework borate-rich cadmium borophosphate","CrystEngComm","2022","24","3","479","483","10.1039/D1CE01449H","","","0.71073","MoKα","","0.095","0.0919","","","0.2092","0.2105","","","","","","1.071","","","","has coordinates","272634","2022-02-04","19:25:35",""
"7244085","13.921","0.003","16.888","0.003","7.6224","0.0015","90","","120","0.03","90","","1551.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C72 H56 O8 S8 -","4","0.5","","Zhang, Xiunan; Wang, Jingkang; Yu, Fei; Cheng, Xiaowei; Hao, Yunhui; Liu, Yue; Huang, Xin; Wang, Ting; Hao, Hongxun","Influence of additives on the polymorphic manipulation of organic fluorescent crystals and its mechanism","CrystEngComm","2022","24","4","854","862","10.1039/D1CE01285A","","","0.71073","MoKα","","0.0872","0.0541","","","0.1322","0.1473","","","","","","1.022","","","","has coordinates","272617","2022-02-04","19:20:37",""
"7244095","12.638","0.003","13.524","0.003","21.208","0.004","84.09","0.03","84.24","0.03","64.85","0.03","3257.3","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","1","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7927","synchrotron","","0.1267","0.1101","","","0.2865","0.3052","","","","","","1.022","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244096","31.887","0.006","23.216","0.005","23.261","0.005","90","","90","","90","","17220","6","100.15","","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C130 H194 N14 O48 S8 Zn6 -","- C130 H194 N14 O48 S8 Zn6 -","- C520 H776 N56 O192 S32 Zn24 -","4","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7931","synchrotron","","0.1088","0.0713","","","0.1871","0.217","","","","","","1.025","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244097","22.981","0.003","22.981","0.003","13.534","0.003","90","","90","","90","","7148","2","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C108 H138 N4 Ni9 O50 S8 -","- C108 H138 N4 Ni9 O50 S8 -","- C216 H276 N8 Ni18 O100 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7937","synchrotron","","0.081","0.0645","","","0.1705","0.1856","","","","","","1.048","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244098","22.99439","0.00004","22.99439","0.00004","13.59342","0.00005","90","","90","","90","","7187.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C120 H162 Co9 N8 O54 S8 -","- C120 H162 Co9 N8 O54 S8 -","- C240 H324 Co18 N16 O108 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","x-ray","1.54184","CuKα","","0.0491","0.0484","","","0.1408","0.1417","","","","","","1.059","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244099","14.717","0.0006","14.3696","0.0006","23.7326","0.001","90","","90","","90","","5018.9","0.4","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C45 H49 Eu3 N12 O24 S4 -","- C33 H9 Eu3 N8 O20 S4 -","- C132 H36 Eu12 N32 O80 S16 -","4","0.5","","He, Qi-Qi; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Liu, Sui-Jun; Chen, Jing-Lin; Li, Na; Wen, He-Rui","A multi-responsive luminescent sensor based on a stable Eu(iii) metal–organic framework for sensing Fe3+, MnO4−, and Cr2O72− in aqueous solutions","CrystEngComm","2022","24","5","1041","1048","10.1039/D1CE01503F","","","0.71073","MoKα","","0.0397","0.0384","","","0.1154","0.1166","","","","","","1.123","","","","has coordinates,has disorder","272614","2022-02-04","19:20:15",""
"7244100","10.4325","0.0002","11.403","0.0003","18.4984","0.0004","107.755","0.002","96.663","0.002","92.537","0.002","2074.24","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N3 O3 S3 -","- C18 H16 F3 N3 O3 S3 -","- C72 H64 F12 N12 O12 S12 -","4","2","","Dubey, Gurudutt; Mahawar, Nutan; Singh, Tejender; Saha, Nirjhar; Sahoo, Subash C.; Bharatam, Prasad V.","Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N<sup>+</sup> center.","Physical chemistry chemical physics : PCCP","2022","24","2","629","633","10.1039/d1cp04732a","","","0.71073","MoKα","","0.0832","0.0516","","","0.112","0.1287","","","","","","1.06","","","","has coordinates,has disorder","272785","2022-02-04","20:04:11",""
"7244101","7.6003","0.0005","9.7756","0.0007","9.7883","0.0007","96.092","0.002","103.963","0.002","111.34","0.003","642.06","0.08","297","2","297","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","0.71073","MoKα","","0.0679","0.0447","","","0.0947","0.1073","","","","","","1.03","","","","has coordinates","272787","2022-02-04","20:04:35",""
"7244102","9.1303","0.0005","9.5438","0.0005","18.2326","0.0009","86.92","0.002","78.265","0.002","66.827","0.002","1429.43","0.13","297","2","297","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N2 O2 S -","- C15 H15 N2 O2 S -","- C60 H60 N8 O8 S4 -","4","2","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","0.71073","MoKα","","0.0699","0.0545","","","0.1699","0.1935","","","","","","0.733","","","","has coordinates","272787","2022-02-04","20:04:37",""
"7244103","9.1477","0.0009","10.3739","0.0008","25.486","0.003","89.281","0.005","79.975","0.006","67.01","0.005","2188.4","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","2","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","1.54178","CuKα","","0.2545","0.0931","","","0.2102","0.2999","","","","","","0.938","","","","has coordinates,has disorder","272787","2022-02-04","20:04:37",""
"7244104","13.5492","0.001","7.4023","0.0005","21.4841","0.0016","90","","100.382","0.002","90","","2119.5","0.3","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N4 O5 -","- C25 H20 N4 O5 -","- C100 H80 N16 O20 -","4","0.5","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","0.71073","MoKα","","0.1008","0.0733","","","0.1461","0.1582","","","","","","1.124","","","","has coordinates","272787","2022-02-04","20:04:37",""
"7244105","7.7678","0.0002","5.8296","0.0001","42.625","0.0009","90","","91.468","0.002","90","","1929.56","0.07","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N4 O2 -","- C25 H18 N4 O2 -","- C100 H72 N16 O8 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","1.54178","CuKα","","0.1052","0.0585","","","0.141","0.1713","","","","","","1.011","","","","has coordinates","272787","2022-02-04","20:04:37",""
"7244107","10.1902","0.0003","10.2138","0.0003","28.5888","0.0008","88.437","0.002","86.185","0.002","69.035","0.002","2772.38","0.14","193","2","192.99","","","","","","","","","5","P 1","P 1","1","","","","- C34 H24 B N S3 -","- C34 H24 B N S3 -","- C136 H96 B4 N4 S12 -","4","4","","Wang, Rui; Song, Kai; Wei, Caiyun; Hong, Wenjing; Zang, Yaping; Qu, Dahui; Li, Hongxiang","Substitution pattern controlled charge transport in BN-embedded aromatics-based single molecule junctions.","Physical chemistry chemical physics : PCCP","2022","24","4","2227","2233","10.1039/d1cp04671c","","","1.34139","GaKα","","0.0724","0.0571","","","0.1376","0.1525","","","","","","1.026","","","","has coordinates","272784","2022-02-04","20:04:05",""
"7244112","11.3034","0.0006","12.7188","0.0006","21.9772","0.0012","82.236","0.002","76.045","0.002","75.545","0.002","2959.8","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Co","","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.072","0.0526","","","0.141","0.1565","","","","","","1.022","","","","has coordinates","272630","2022-02-04","19:24:34",""
"7244113","11.3213","0.0006","12.545","0.0007","21.9866","0.0013","82.573","0.002","76.173","0.002","75.347","0.002","2925.7","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Ni","","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.065","0.0477","","","0.1317","0.1446","","","","","","1.031","","","","has coordinates","272630","2022-02-04","19:24:34",""
"7244114","10.5089","0.0004","24.083","0.0011","6.4952","0.0003","90","","90","","90","","1643.84","0.12","150","2","149.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","artesiminin hemikis(acetylenedicarboxylic acid)","Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one hemikis(but-2-ynedioic acid)","","- C17 H23 O7 -","- C17 H23 O7 -","- C68 H92 O28 -","4","1","","Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong","Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation","CrystEngComm","2022","24","5","1056","1067","10.1039/D1CE01400E","","","0.71073","MoKα","","0.0416","0.0353","","","0.0884","0.0922","","","","","","1.039","","","","has coordinates","272607","2022-02-04","19:19:04",""
"7244117","24.4715","0.0007","8.9399","0.0003","9.9133","0.0003","90","","90","","90","","2168.76","0.12","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C88 H80 Cd4 N16 O20 -","4","0.5","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0456","0.0289","","","0.0613","0.0662","","","","","","1.092","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244118","8.7652","0.0019","10.148","0.002","12.958","0.003","73.895","0.003","77.424","0.003","75.347","0.004","1057.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C44 H40 Cd2 N8 O10 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0306","0.0252","","","0.0667","0.0862","","","","","","1.187","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244119","9.907","0.005","10.86","0.005","11.41","0.006","114.119","0.006","107.767","0.007","97.924","0.007","1017.1","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C44 H36 Cd2 N8 O8 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.04","0.033","","","0.0976","0.1094","","","","","","1.077","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244120","7.9711","0.0004","38.293","0.002","13.9006","0.0007","90","","96.469","0.001","90","","4216","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N8 O10 Zn2 -","- C44 H40 N8 O10 Zn2 -","- C176 H160 N32 O40 Zn8 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0648","0.0423","","","0.0894","0.1008","","","","","","1.125","","","","has coordinates","271657","2022-01-01","00:11:12",""
"7244123","11.26","0.005","11.656","0.005","12.787","0.005","79.302","0.005","84.606","0.005","68.048","0.005","1529","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","1","0.5","","Li, Meng-Ting; Sun, Jing-Wen; Yi-Fei-Liu,; Niu, Mei-Hui; Zou, Han-Yu; Sun, Da-Qiang; Yu, Yang","POM-based metal organic frameworks with a woven fabric structure for lithium storage","CrystEngComm","2022","24","6","1279","1284","10.1039/D1CE01538A","","","0.71069","MoKα","","0.1479","0.0824","","","0.2423","0.2982","","","","","","1.048","","","","has coordinates","273356","2022-03-04","22:09:02",""
"7244124","14.1506","0.0013","14.5033","0.0014","22.5841","0.0017","90","","90.46","0.003","90","","4634.8","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H102 Cd2 Cl8 N34 O34 -","- C58 H80 Cd2 Cl8 N34 O24 -","- C116 H160 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0797","0.0703","","","0.206","0.2127","","","","","","1.007","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244125","14.075","0.005","14.636","0.004","22.677","0.007","90","","90.564","0.012","90","","4671","3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H105 Cd2 Cl8 N34 O34 -","- C60 H76 Cd2 Cl8 N34 O24 -","- C120 H152 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0996","0.0697","","","0.2175","0.2364","","","","","","1.003","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244126","17.535","0.006","17.696","0.007","18.62","0.007","69.886","0.011","78.459","0.012","66.732","0.011","4970","3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Cd Cl4 N33 O28 S -","- C53 H60 Cd Cl4 N33 O20 S -","- C106 H120 Cd2 Cl8 N66 O40 S2 -","2","1","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.1668","0.1141","","","0.2978","0.3415","","","","","","1.011","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244127","10.9002","0.0005","11.5504","0.0005","14.7377","0.0007","89.771","0.001","86.393","0.001","81.188","0.001","1829.94","0.14","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","1","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0898","0.0748","","","0.163","0.17","","","","","","1.165","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244128","16.046","0.0011","20.6074","0.0014","18.8644","0.0013","90","","96.972","0.002","90","","6191.7","0.7","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C96 H120 Cu8 Mo48 N48 O188 Si4 -","4","1","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1127","0.0621","","","0.1495","0.1791","","","","","","1.012","","","","has coordinates","272619","2022-02-04","19:21:06",""
"7244129","15.8588","0.0014","21.3036","0.0014","10.4152","0.0008","90","","98.134","0.002","90","","3483.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H41 Co2 N12 O49.5 Si W12 -","- C28 H41 Co2 N12 O49.5 Si W12 -","- C56 H82 Co4 N24 O99 Si2 W24 -","2","0.25","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0493","0.0348","","","0.0778","0.0854","","","","","","1.043","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244130","10.1453","0.0007","17.138","0.0011","19.2588","0.0012","90","","96.218","0.002","90","","3328.8","0.4","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cu2 N12 O52 Si W12 -","- C28 H48 Cu2 N12 O52 Si W12 -","- C56 H96 Cu4 N24 O104 Si2 W24 -","2","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1286","0.0689","","","0.1058","0.1225","","","","","","1.075","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244137","12.47","0.003","10.334","0.002","13.219","0.003","90","","111.93","0.03","90","","1580.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O9 Y -","- C10 H16 N3 O9 Y -","- C40 H64 N12 O36 Y4 -","4","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.0621","0.057","","","0.1544","0.1583","","","","","","1.089","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244138","7.19","0.0014","7.578","0.0015","9.979","0.002","71.83","0.03","83.47","0.03","84.8","0.03","512.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O7 Y -","- C9 H6 O7 Y -","- C18 H12 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0731","0.0611","","","0.1613","0.1699","","","","","","1.14","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244139","7.635","0.0015","10.112","0.002","11.216","0.002","115.76","0.03","105.96","0.03","95.18","0.03","727.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N O7 Y -","- C12 H13 N O7 Y -","- C24 H26 N2 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.057","0.0558","","","0.1578","0.1591","","","","","","1.185","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244140","9.621","0.0019","9.918","0.002","11.149","0.002","77.87","0.03","80.29","0.03","79.96","0.03","1014.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N2 O10 Y -","- C15 H20 N2 O10 Y -","- C30 H40 N4 O20 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0789","0.0718","","","0.2031","0.2113","","","","","","1.168","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244141","8.52","0.0017","10.069","0.002","16.751","0.003","81.28","0.03","79.95","0.03","79.63","0.03","1381.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N2 O18.5 Y2 -","- C18 H20 N2 O18.5 Y2 -","- C36 H40 N4 O37 Y4 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.75","synchrotron","","0.0789","0.0699","","","0.2312","0.2438","","","","","","1.115","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244142","9.573","0.0019","14.857","0.003","19.601","0.004","99.49","0.03","95.46","0.03","101.53","0.03","2670.4","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 N6 O26 Y4 -","- C34 H50 N6 O26 Y4 -","- C68 H100 N12 O52 Y8 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.1413","0.1002","","","0.3066","0.3316","","","","","","1.173","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244143","13.7701","0.0004","11.51","0.0003","29.1745","0.0007","90","","90.088","0.002","90","","4624","0.2","150","0.3","150","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 Cd2 N2 O15 -","- C20 H20 Cd2 N2 O15 -","- C160 H160 Cd16 N16 O120 -","8","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0373","0.0321","","","0.0638","0.0659","","","","","","1.074","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244144","8.0862","0.0015","8.1863","0.0013","8.4893","0.0011","72.651","0.013","81.681","0.013","65.767","0.017","488.97","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0614","0.0488","","","0.1187","0.1273","","","","","","1.045","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244145","9.0126","0.0001","18.6624","0.0001","9.1644","0.0001","90","","103.467","0.001","90","","1499.04","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cd3 N2 O21 -","- C20 H30 Cd3 N2 O21 -","- C40 H60 Cd6 N4 O42 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0418","0.0418","","","0.1045","0.1045","","","","","","1.072","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244146","4.8959","0.0001","10.063","0.0003","11.3009","0.0004","90","","95.584","0.003","90","","554.12","0.03","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O8 Zn -","- C10 H11 N O8 Zn -","- C20 H22 N2 O16 Zn2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0803","0.081","","","","","","1.068","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244147","4.8412","0.0002","10.1675","0.0004","11.332","0.0004","90","","95.158","0.004","90","","555.54","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Co N O8 -","- C10 H11 Co N O8 -","- C20 H22 Co2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0472","0.0461","","","0.1224","0.1241","","","","","","1.044","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244148","4.9056","0.0005","9.7392","0.001","11.4649","0.0014","90","","97.117","0.01","90","","543.53","0.1","150.1","0.4","150.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9.4 Cu N O7.2 -","- C10 H9.4 Cu N O7.2 -","- C20 H18.8 Cu2 N2 O14.4 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0611","0.0481","","","0.0958","0.0989","","","","","","0.953","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244149","7.4213","0.0003","19.3205","0.0006","10.8081","0.0004","90","","96.871","0.003","90","","1538.57","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O12 Zn2 -","- C10 H13 N O12 Zn2 -","- C40 H52 N4 O48 Zn8 -","4","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0391","0.0323","","","0.0774","0.0808","","","","","","1.081","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244150","14.1081","0.0001","14.3068","0.0002","23.1617","0.0003","90","","90.945","0.001","90","","4674.36","0.1","220","0.1","220","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51.25 H105.75 Cd6 N7.75 O55.5 -","- C48.55 H63.45 Cd6 N6.85 O36.6 -","- C97.1 H126.9 Cd12 N13.7 O73.2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0648","0.0626","","","0.1711","0.1735","","","","","","1.013","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244151","7.2467","0.0006","8.5509","0.0007","10.9978","0.0006","101.892","0.006","95.728","0.005","114.776","0.008","592.04","0.09","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cd N O8 -","- C10 H11 Cd N O8 -","- C20 H22 Cd2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0376","0.0335","","","0.0636","0.0668","","","","","","1.069","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244152","7.7777","0.0002","8.9715","0.0004","11.4851","0.0004","67.353","0.004","75.848","0.003","70.505","0.003","690.98","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0216","0.0199","","","0.0489","0.0496","","","","","","1.026","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244160","4.8673","0.0012","11.348","0.003","27.751","0.006","90","","90","","90","","1532.8","0.6","174","2","174.29","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C60 H48 Br4 N12 O8 S4 -","4","1","","Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee","Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles","Green Chemistry","2022","24","2","911","915","10.1039/D1GC03340A","","","0.71073","MoKα","","0.0392","0.0317","","","0.0641","0.0665","","","","","","1.06","","","","has coordinates","272703","2022-02-04","19:50:53",""
"7244161","5.3437","0.0005","14.4207","0.0016","16.6141","0.0016","90","","90","","90","","1280.3","0.2","100","2","99.83","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N4 O3 S -","- C11 H14 N4 O3 S -","- C44 H56 N16 O12 S4 -","4","1","","Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee","Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles","Green Chemistry","2022","24","2","911","915","10.1039/D1GC03340A","","","0.71073","MoKα","","0.045","0.0424","","","0.0905","0.0923","","","","","","1.07","","","","has coordinates","272703","2022-02-04","19:50:53",""
"7244162","21.701","0.0007","6.1737","0.0002","20.5621","0.0007","90","","120.251","0.001","90","","2379.68","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","0.71073","MoKα","","0.062","0.0421","","","0.1018","0.1108","","","","","","1.031","","","","has coordinates","272611","2022-02-04","19:19:53",""
"7244163","13.0612","0.0005","5.4197","0.0002","13.8643","0.0006","90","","102.611","0.002","90","","957.75","0.07","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","2","","Gong, Yaxiang; Wei, Yuanfeng; Gao, Yuan; Pang, Zunting; Zhang, Jianjun; Qian, Shuai","The bending behavior of an L-phenylalanine monohydrate soft crystal <i>via</i> reversible hydrogen bond rupture and remodeling.","Physical chemistry chemical physics : PCCP","2022","24","5","3216","3221","10.1039/d1cp05449j","","","1.34139","GaKα","","0.0385","0.0318","","","0.0784","0.0825","","","","","","1.047","","","","has coordinates","272782","2022-02-04","20:03:50",""
"7244164","6.1471","0.0003","17.7972","0.0009","20.5612","0.001","76.086","0.004","81.665","0.004","86.606","0.004","2159.66","0.19","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","2","","Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang","Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene.","Physical chemistry chemical physics : PCCP","2022","24","4","1960","1964","10.1039/d1cp05303e","","x-ray","0.71073","MoKα","","0.1065","0.0546","","","0.1201","0.1389","","","","","","0.998","","","","has coordinates","272783","2022-02-04","20:03:59",""
"7244165","10.1318","0.0005","10.1318","0.0005","39.042","0.004","90","","90","","90","","4007.8","0.5","293","2","293.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C208 H176 N16 O8 -","8","1","","Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang","Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene.","Physical chemistry chemical physics : PCCP","2022","24","4","1960","1964","10.1039/d1cp05303e","","x-ray","0.71073","MoKα","","0.1054","0.0564","","","0.0913","0.1058","","","","","","0.996","","","","has coordinates","272783","2022-02-04","20:03:59",""
"7244166","9.1427","0.0009","10.2655","0.001","11.2401","0.0011","76.016","0.008","84.388","0.008","76.867","0.009","995.87","0.18","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C52 H44 N4 -","2","1","","Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang","Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene.","Physical chemistry chemical physics : PCCP","2022","24","4","1960","1964","10.1039/d1cp05303e","","x-ray","0.71073","MoKα","","0.1747","0.0611","","","0.1032","0.146","","","","","","1.003","","","","has coordinates","272783","2022-02-04","20:03:59",""
"7244167","11.853","0.002","14.016","0.002","16.932","0.003","105.883","0.003","99.311","0.003","92.164","0.003","2659.9","0.8","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H64 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.079","0.0587","","","0.1579","0.1754","","","","","","1.018","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244168","11.8092","0.0012","14.143","0.0015","17.0587","0.0019","106.843","0.0017","100","0.0016","91.8117","0.0016","2675.3","0.5","296","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H52 Mn2 Mo12 N8 Na4 O70 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0681","0.0483","","","0.1311","0.1451","","","","","","1.025","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244169","11.856","0.001","14.0079","0.0012","16.8886","0.0014","105.922","0.0013","99.3799","0.0014","92.0586","0.0015","2651.5","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","","0.71073","MoKα","","0.0659","0.0466","","","0.1248","0.1385","","","","","","1.022","","","","has coordinates","272608","2022-02-04","19:19:16",""
"7244170","12.079","0.002","13.62","0.002","17.023","0.003","75.738","0.003","80.286","0.003","89.388","0.003","2673.9","0.8","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C64 H60 K2 Mo12 N8 Na2 O69 P8 Zn -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0944","0.0601","","","0.1444","0.1727","","","","","","1.038","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244175","14.4786","0.0006","11.6381","0.0006","34.8047","0.0016","90","","90.017","0.003","90","","5864.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1868","0.1302","","","0.3871","0.4345","","","","","","1.482","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244176","7.6581","0.0003","7.3941","0.0003","13.4241","0.0006","90","","98.09","0.002","90","","752.57","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-3,6-difluorobenzonitrile","","- C7 H2 Cl F2 N2 -","- C7 H3 Cl F2 N2 -","- C28 H12 Cl4 F8 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0517","0.0396","","","0.107","0.1217","","","","","","1.059","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244177","9.7777","0.0019","7.7816","0.0015","10.246","0.0016","90","","99.955","0.008","90","","767.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile","","- C7 H2 Cl F3 N2 -","- C7 H2 Cl F3 N2 -","- C28 H8 Cl4 F12 N8 -","4","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1221","0.0962","","","0.2726","0.282","","","","","","1.016","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244178","7.5702","0.0005","5.8303","0.0003","15.8912","0.0011","90","","96.846","0.003","90","","696.38","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,6-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C28 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0709","0.0455","","","0.1199","0.141","","","","","","1.026","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244179","14.459","0.0006","11.6131","0.0006","34.7535","0.0015","90","","90.333","0.003","90","","5835.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1175","0.0882","","","0.2544","0.2939","","","","","","0.954","","","","has coordinates,has disorder","272610","2022-02-04","19:19:43",""
"7244180","3.736","0.0007","8.4997","0.0017","10.654","0.002","90","","96.061","0.007","90","","336.43","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2,3,5-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C14 H6 F6 N4 -","2","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.038","0.0325","","","0.0949","0.102","","","","","","0.815","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244181","9.276","0.0004","9.884","0.0005","10.2679","0.0005","111.106","0.002","98.506","0.002","116.108","0.002","734","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,6-difluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0439","0.037","","","0.1032","0.1108","","","","","","1.035","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244182","9.4276","0.0006","9.9092","0.0006","10.3213","0.0007","111.749","0.002","97.219","0.003","116.798","0.002","747.91","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.042","0.0355","","","0.0925","0.0988","","","","","","1.031","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244183","7.0616","0.0004","12.96","0.0006","10.6639","0.0004","90","","94.752","0.004","90","","972.59","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C32 H44 N8 O16 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0607","0.0422","","","0.1065","0.1195","","","","","","1.029","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244184","7.6501","0.0002","11.8612","0.0004","10.4802","0.0003","90","","98.09","0.003","90","","941.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O8 S2 -","- C14 H20 N2 O8 S2 -","- C28 H40 N4 O16 S4 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","1.5418","CuKα","","0.0499","0.0407","","","0.1073","0.1157","","","","","","1.05","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244185","9.547","0.0008","10.2921","0.0009","11.4084","0.0011","70.436","0.009","66.208","0.009","86.296","0.007","963.26","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","1","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.1456","0.0636","","","0.1528","0.1948","","","","","","0.985","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244186","5.9712","0.0003","7.004","0.0003","20.4618","0.0009","90","","98.336","0.004","90","","846.72","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O6 -","- C14 H22 N4 O6 -","- C28 H44 N8 O12 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0441","0.0366","","","0.0945","0.1001","","","","","","1.049","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244189","14.3707","0.0004","14.3707","0.0004","36.5666","0.0013","90","","90","","90","","7551.6","0.4","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C24 H56 Br18 N8 Pb5 -","- C24 H56 Br18 N8 Pb5 -","- C96 H224 Br72 N32 Pb20 -","4","0.125","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0734","0.0636","","","0.2312","0.24","","","","","","1.064","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244190","19.2189","0.0007","13.7924","0.0006","11.7827","0.0005","90","","90","","90","","3123.3","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Cl6 N2 Sn2 -","- C6 H14 Cl6 N2 Sn2 -","- C48 H112 Cl48 N16 Sn16 -","8","1","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0244","0.0184","","","0.061","0.078","","","","","","0.968","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244198","7.6333","0.0013","8.2742","0.0014","13.236","0.002","90.191","0.002","93.865","0.002","109.561","0.002","785.6","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Br N2 O8 Re2 -","- C8 H17 Br N2 O8 Re2 -","- C16 H34 Br2 N4 O16 Re4 -","2","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0257","0.0235","","","0.0577","0.0588","","","","","","1.068","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244199","8.8362","0.0005","12.7362","0.0005","13.7512","0.0005","91.289","0.002","94.366","0.002","96.252","0.002","1533.15","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Cl N2 O8 Re2 -","- C8 H17 Cl N2 O8 Re2 -","- C32 H68 Cl4 N8 O32 Re8 -","4","2","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0702","0.0593","","","0.1601","0.1649","","","","","","1.133","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244200","10.1928","0.0005","14.8794","0.0006","19.0803","0.0008","90","","90","","90","","2893.8","0.2","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 F N2 O8 Re2 -","- C8 H17 F N2 O8 Re2 -","- C64 H136 F8 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0201","0.0159","","","0.0327","0.0338","","","","","","1.075","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244201","10.236","0.0013","14.7742","0.0019","19.084","0.002","90","","90","","90","","2886","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 N2 O8 Re2 -","- C8 H18 N2 O8 Re2 -","- C64 H144 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.05","0.0399","","","0.094","0.1002","","","","","","1.083","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244202","4.9136","0.0004","14.4136","0.0011","17.9643","0.0014","92.224","0.002","93.232","0.002","92.069","0.002","1268.36","0.17","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H25 N5 -","- C10 H25 N5 -","- C40 H100 N20 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0645","0.0534","","","0.1319","0.137","","","","","","1.124","","","","has coordinates,has disorder","273355","2022-03-04","22:08:52",""
"7244203","9.8206","0.0008","13.9643","0.0011","13.9819","0.0011","90","","90","","90","","1917.4","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 F6 N5 Ni O2 P -","- C12 H28 F6 N5 Ni O2 P -","- C48 H112 F24 N20 Ni4 O8 P4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0275","0.0257","","","0.0673","0.0686","","","","","","1.059","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244204","5.1713","0.0004","27.181","0.002","18.8959","0.0014","90","","93.137","0.002","90","","2652","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O6 S3 -","- C25 H31 N3 O6 S3 -","- C100 H124 N12 O24 S12 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0535","0.0394","","","0.0941","0.101","","","","","","1.04","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244205","8.652","0.0008","11.9224","0.001","18.0909","0.0015","90","","90","","90","","1866.1","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl4 Co2 N5 -","- C10 H25 Cl4 Co2 N5 -","- C40 H100 Cl16 Co8 N20 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0259","0.0238","","","0.0602","0.0612","","","","","","1.043","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244206","7.9184","0.0006","6.7907","0.0005","14.7266","0.0011","90","","100.133","0.002","90","","779.52","0.1","150.15","","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cl2 Fe N5 -","- C10 H25 Cl2 Fe N5 -","- C20 H50 Cl4 Fe2 N10 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0231","0.0203","","","0.0515","0.0529","","","","","","1.061","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244207","14.6083","0.0011","14.3727","0.0011","16.8252","0.0012","90","","103.155","0.003","90","","3439.9","0.4","150","","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl6 Co3 N10 -","- C20 H50 Cl6 Co3 N10 -","- C80 H200 Cl24 Co12 N40 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0357","0.0281","","","0.0664","0.0696","","","","","","1.034","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244208","9.1983","0.0007","9.1983","0.0007","43.795","0.004","90","","90","","120","","3209","0.5","150","","150","","","","","","","","","6","P 65","P 65","170","","","","- C10 H28 F12 Mn N6 P2 -","- C10 H28 F12 Mn N6 P2 -","- C60 H168 F72 Mn6 N36 P12 -","6","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0601","0.0478","","","0.1168","0.1251","","","","","","1.024","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244209","12.6817","0.001","25.67","0.003","12.8729","0.001","90","","106.102","0.007","90","","4026.2","0.7","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 F12 N5 P2 Zn -","- C10 H25 F11.996 N5 P2 Zn -","- C80 H200 F95.968 N40 P16 Zn8 -","8","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0788","0.0628","","","0.1758","0.1896","","","","","","1.067","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244210","9.0957","0.0008","9.2333","0.0009","22.464","0.002","97.589","0.003","93.469","0.002","96.344","0.002","1853.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H25 Cl2 Cr F6 N5 P -","- C10 H25 Cl2 Cr F6 N5 P -","- C40 H100 Cl8 Cr4 F24 N20 P4 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0611","0.0453","","","0.1058","0.1122","","","","","","1.05","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244211","7.7456","0.0007","10.3834","0.0009","11.001","0.001","75.896","0.002","88.525","0.002","85.227","0.002","855.1","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H21 Cl F6 N5 P Ru -","- C10 H21 Cl F6 N5 P Ru -","- C20 H42 Cl2 F12 N10 P2 Ru2 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0258","0.0235","","","0.0604","0.0618","","","","","","1.029","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244212","5.7301","0.0005","18.629","0.0015","16.8629","0.0016","90","","91.518","0.002","90","","1799.4","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N2 O10 S4 -","- C34 H40 N2 O10 S4 -","- C68 H80 N4 O20 S8 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0539","0.0351","","","0.085","0.0925","","","","","","1.023","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244213","18.619","0.002","9.6164","0.0008","11.7011","0.001","90","","110.806","0.004","90","","1958.4","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H28 Cl2 F6 N5 P -","- C10 H28 Cl2 F6 N5 P -","- C40 H112 Cl8 F24 N20 P4 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0264","0.0245","","","0.0652","0.0664","","","","","","1.079","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244214","8.2222","0.0004","12.5513","0.0007","12.9958","0.0007","90","","104.977","0.002","90","","1295.6","0.12","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H31 Cu F12 N7 O4 P2 -","- C12 H31 Cu F12 N7 O4 P2 -","- C24 H62 Cu2 F24 N14 O8 P4 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.036","0.0355","","","0.0699","0.0702","","","","","","1.12","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244215","17.9648","0.0014","19.2765","0.0014","12.8235","0.001","90","","90","","90","","4440.8","0.6","150","","150","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C110.08 H245.12 F48 Fe8 I0.96 N40 O30.08 P8 -","8","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.064","0.0528","","","0.1538","0.1651","","","","","","1.033","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244216","15.3816","0.0011","9.2277","0.0011","12.6805","0.0011","90","","113.079","0.003","90","","1655.8","0.3","150","","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H27 Cl3 Cr N5 O -","- C10 H27 Cl3 Cr N5 O -","- C40 H108 Cl12 Cr4 N20 O4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0355","0.0296","","","0.0552","0.057","","","","","","1.044","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244217","14.5128","0.0014","12.7676","0.0011","32.102","0.003","90","","90","","90","","5948.3","0.9","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H25 Cl2 Co N5 -","- C10 H25 Cl2 Co N5 -","- C160 H400 Cl32 Co16 N80 -","16","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0742","0.0416","","","0.0836","0.0958","","","","","","1.034","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244218","7.09","0.0005","15.0538","0.0011","16.4613","0.0012","90","","90","","90","","1756.9","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl2 Cu N7 -","- C17 H13 Cl2 Cu N7 -","- C68 H52 Cl8 Cu4 N28 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0265","0.0223","","","0.0756","0.0881","","","","","","0.79","","","","has coordinates","273353","2022-03-04","22:07:53",""
"7244219","6.9172","0.0009","15.1342","0.0019","17.174","0.002","90","","90","","90","","1797.9","0.4","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl Cu N8 O3 -","- C17 H13 Cl Cu N8 O3 -","- C68 H52 Cl4 Cu4 N32 O12 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0383","0.0348","","","0.1067","0.1122","","","","","","0.883","","","","has coordinates","273353","2022-03-04","22:07:54",""
"7244220","13.2557","0.001","5.3985","0.0004","23.3604","0.0018","90","","103.761","0.001","90","","1623.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diphenyl ditelluride 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C15 H10 F2 I Te2 -","- C15 H10 F2 I Te2 -","- C60 H40 F8 I4 Te8 -","4","1","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0242","0.0195","","","0.0417","0.0433","","","","","","1.0356","","","","has coordinates","273357","2022-03-04","22:09:20",""
"7244221","6.82","0.0004","8.6628","0.0005","33.6106","0.0019","90","","92.684","0.002","90","","1983.5","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diphenylditelluride 1,4-diiodo-tetrafluorobenzene","","- C18 H10 F4 I2 Te2 -","- C18 H10 F4 I2 Te2 -","- C72 H40 F16 I8 Te8 -","4","0.5","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0479","0.045","","","0.0872","0.0879","","","","","","1.384","","","","has coordinates","273357","2022-03-04","22:09:30",""
"7244225","8.892","0.004","24.276","0.011","11.365","0.005","90","","109.798","0.007","90","","2308.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","1","0.25","","Zeng, Na-Na; Ren, Li; Cui, Guang-Hua","Ultrasensitive fluorescence detection of norfloxacin in aqueous medium employing a 2D Zn(ii)-based coordination polymer","CrystEngComm","2022","24","5","931","935","10.1039/D1CE01537K","","","0.71073","MoKα","","0.1611","0.0663","","","0.1522","0.1959","","","","","","0.983","","","","has coordinates,has disorder","272615","2022-02-04","19:20:22",""
"7244257","7.1397","0.0003","16.0756","0.0006","8.9196","0.0003","90","","104.983","0.001","90","","988.94","0.06","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-Tetrachloroterephthalonitrile Cocrystal","","- C12 H5 Cl2 N -","- C12 H5 Cl2 N -","- C48 H20 Cl8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.0744","0.0478","","","0.0847","0.0967","","","","","","1.135","","","","has coordinates","272613","2022-02-04","19:20:08",""
"7244258","7.1268","0.0011","8.6732","0.0014","15.297","0.002","90","","102.303","0.006","90","","923.8","0.2","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cocrystal","","- C12 H5 F2 N -","- C12 H5 F2 N -","- C48 H20 F8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.068","0.0444","","","0.1066","0.1325","","","","","","1.088","","","","has coordinates","272613","2022-02-04","19:20:08",""
"7244265","8.7824","0.0002","8.8235","0.0001","22.0837","0.0004","90","","95.202","0.002","90","","1704.25","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diisopropylammonium sulfate","","- C12 H32 N2 O4 S -","- C12 H32 N2 O4 S -","- C48 H128 N8 O16 S4 -","4","1","","Turek, Marika; Biczak, Robert; Pawłowska, Barbara; Różycka-Sokołowska, Ewa; Owsianik, Krzysztof; Marciniak, Bernard; Bałczewski, Piotr","The need to change the approach to the safe use of herbicides by developing chiral and environmentally friendly formulations: a series of enantioselective (R)- and (S)-phenylethylammonium chloroacetates","Green Chemistry","2022","24","4","1693","1703","10.1039/D1GC03970A","","","1.54184","CuKα","","0.0366","0.0349","","","0.096","0.0979","","","","","","1.035","","","","has coordinates,has disorder","273377","2022-03-04","22:16:54",""
"7244279","22.3041","0.0009","28.6028","0.0014","29.0127","0.0013","90","","90","","90","","18508.9","1.4","292.4","0.3","292.4","0.3","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C408 H248 Eu16 N52 O112 -","- C408 H248 Eu16 N52 O112 -","- C816 H496 Eu32 N104 O224 -","2","0.0625","","Sun, Yin-Xia; Guo, Geng; Ding, Wen-Min; Han, Wen-Yu; Li, Juan; Deng, Zhe-Peng","A highly stable Eu-MOF multifunctional luminescent sensor for the effective detection of Fe3+, Cr2O72−/CrO42− and aspartic acid in aqueous systems","CrystEngComm","2022","24","7","1358","1367","10.1039/D1CE01432C","","x-ray","1.54184","CuKα","","0.0478","0.0401","","","0.09","0.0946","","","","","","1.051","","","","has coordinates","273359","2022-03-04","22:09:53",""
"7244297","11.353","0.008","13.367","0.008","12.835","0.007","90","","100.25","0.02","90","","1917","2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Sharapov, Ainur D.; Fatykhov, Ramil F.; Khalymbadzha, Igor A.; Sharutin, Vladimir V.; Santra, Sougata; Zyryanov, Grigory V.; Chupakhin, Oleg N.; Ranu, Brindaban C.","Mechanochemical synthesis of coumarins via Pechmann condensation under solvent-free conditions: an easy access to coumarins and annulated pyrano[2,3-f] and [3,2-f]indoles","Green Chemistry","2022","24","6","2429","2437","10.1039/D1GC04564D","","","0.71073","MoKα","","0.0986","0.0705","","","0.212","0.2405","","","","","","1.036","","","","has coordinates","274990","2022-05-05","20:37:33",""
"7244318","15.006","0.0013","20.6811","0.0016","22.944","0.002","90","","99.494","0.004","90","","7022.9","1","292.52","","292.52","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H90 N26 O32 -","- C55 H90 N26 O32 -","- C220 H360 N104 O128 -","4","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0884","0.0556","","","0.1337","0.1561","","","","","","1.061","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244319","12.304","0.002","12.4966","0.0018","13.125","0.002","64.88","0.006","89.809","0.006","79.159","0.006","1787.9","0.5","292.28","","292.28","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0544","0.043","","","0.0973","0.1041","","","","","","1.117","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244320","12.4914","0.0007","13.5836","0.0007","13.6906","0.0006","105.65","0.002","95.32","0.002","113.732","0.002","1993.62","0.18","292.26","","292.26","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0609","0.048","","","0.1267","0.1387","","","","","","1.059","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244321","23.0996","0.0013","18.4319","0.0011","33.9541","0.0019","90","","103.095","0.002","90","","14080.7","1.4","143.01","","143.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","1","0.25","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","1.54178","CuKα","","0.0488","0.0439","","","0.111","0.1159","","","","","","1.05","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244322","23.1168","0.0013","24.6194","0.0015","24.9596","0.001","90","","90","","90","","14205.1","1.3","302","","302","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C110 H122 Cl N52 O51 S2 U3 -","- C110 H122 Cl N52 O51 S2 U3 -","- C440 H488 Cl4 N208 O204 S8 U12 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.1428","0.0881","","","0.2335","0.2746","","","","","","0.998","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244323","18.3214","0.0007","17.8962","0.0007","22.4009","0.0009","90","","113.982","0.003","90","","6710.8","0.5","292.36","","292.36","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H62 Br0.27 N27.74 O29.21 U2 -","- C55 H62 Br0.265 N27.735 O29.205 U2 -","- C220 H248 Br1.06 N110.94 O116.82 U8 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0395","0.027","","","0.0578","0.0626","","","","","","1.0459","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244354","14.1375","0.0005","14.1375","0.0005","12.863","0.0005","90","","90","","90","","2570.91","0.16","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Cl4 N4 -","- C28 H18 Cl4 N4 -","- C112 H72 Cl16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.119","0.0467","","","0.0897","0.1087","","","","","","1.008","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244355","14.2289","0.0006","14.2289","0.0006","13.1662","0.0008","90","","90","","90","","2665.6","0.2","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Br4 N4 -","- C28 H18 Br4 N4 -","- C112 H72 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0584","0.0332","","","0.0781","0.0871","","","","","","1.012","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244356","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244357","5.9329","0.0003","23.0822","0.0012","30.2786","0.0016","90","","90","","90","","4146.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 I4 N4 -","- C44 H38 I4 N4 -","- C176 H152 I16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0406","0.0274","","","0.0509","0.0578","","","","","","1.126","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244358","5.8699","0.0002","22.6993","0.0009","29.706","0.0014","90","","90","","90","","3958.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 Br4 N4 -","- C44 H38 Br4 N4 -","- C176 H152 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0943","0.0514","","","0.0783","0.0878","","","","","","1.046","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244359","15.4025","0.0009","5.8486","0.0003","22.1487","0.0013","90","","109.329","0.002","90","","1882.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cl4 N4 -","- C44 H38 Cl4 N4 -","- C88 H76 Cl8 N8 -","2","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0812","0.0456","","","0.0854","0.0956","","","","","","1.05","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244368","11.8442","0.0007","12.6156","0.0008","15.127","0.001","100.928","0.001","111.907","0.001","99.186","0.001","1992.1","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0983","0.0645","","","0.1658","0.1883","","","","","","1.027","","","","has coordinates","272848","2022-02-07","23:43:51",""
"7244369","11.4528","0.0017","11.5586","0.0016","14.2713","0.0019","77.001","0.003","89.888","0.003","78.24","0.003","1800.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0496","","","0.0952","0.1091","","","","","","0.95","","","","has coordinates","272848","2022-02-07","23:43:52",""
"7244370","12.4696","0.0014","13.3599","0.0014","20.487","0.002","86.843","0.002","73.656","0.002","85.335","0.002","3262.4","0.6","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Co N8 O44 Si W12 -","- C26 H26 Co N8 O44 Si W12 -","- C52 H52 Co2 N16 O88 Si2 W24 -","2","1","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","","0.71073","MoKα","","0.0714","0.0413","","","0.0797","0.0882","","","","","","0.969","","","","has coordinates","272848","2022-02-07","23:43:52",""
"7244371","10.5639","0.0001","21.9239","0.0002","10.4796","0.0001","90","","111.989","0.001","90","","2250.54","0.04","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C104 H128 O16 -","4","1","","Zhao, Quan-Qing; Rehbein, Julia; Reiser, Oliver","Thermoneutral synthesis of spiro-1,4-cyclohexadienes by visible-light-driven dearomatization of benzylmalonates","Green Chemistry","2022","24","7","2772","2776","10.1039/D1GC04686A","","x-ray","1.54184","CuKα","","0.0452","0.0403","","","0.1024","0.1059","","","","","","1.039","","","","has coordinates,has disorder","274998","2022-05-05","20:38:53",""
"7244381","10.1132","0.0013","5.7769","0.0007","20.392","0.003","90","","90","","90","","1191.4","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Liu, Xiao-Dong; Wang, Qiu-An; Zhu, Yan-Ping; Peng, Zhi-Hong; Li, Jin-Heng","Copper-catalyzed aerobic hydroxyamination of alkenes of unsaturated keto oximes in EtOH toward cyclic nitrones","Green Chemistry","2022","24","6","2476","2482","10.1039/D2GC00017B","","","0.71073","MoKα","","0.0321","0.0284","","","0.0738","0.0772","","","","","","1.04","","","","has coordinates","274989","2022-05-05","20:37:24",""
"7244382","12.0038","0.0006","12.5724","0.0006","8.96","0.0004","90","","100.273","0.002","90","","1330.54","0.11","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","Li, Jianxiao; He, Dan; Lin, Zidong; Cen, Liying; Wu, Wanqing; Jiang, Huanfeng","NHC–palladium-catalyzed ionic liquid-accelerated regioselective oxyarylation of alkynes with diaryl ethers","Green Chemistry","2022","24","5","1983","1988","10.1039/D1GC04556C","","","0.71073","MoKα","","0.0601","0.0399","","","0.0875","0.1011","","","","","","1.065","","","","has coordinates","274988","2022-05-05","20:37:13",""
"7244383","12.7847","0.0002","19.6339","0.0003","14.688","0.0002","90","","91.112","0.001","90","","3686.19","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 N O P2 Ru -","- C46 H39 N O P2 Ru -","- C184 H156 N4 O4 P8 Ru4 -","4","1","","Kar, Sayan; Luo, Jie; Rauch, Michael; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Dehydrogenative ester synthesis from enol ethers and water with a ruthenium complex catalyzing two reactions in synergy","Green Chemistry","2022","24","4","1481","1487","10.1039/D1GC04574A","","x-ray","0.71073","MoKα","","0.0414","0.0322","","","0.0742","0.0775","","","","","","1.053","","","","has coordinates","273376","2022-03-04","22:16:47",""
"7244397","13.0905","0.0003","7.4207","0.0002","25.4832","0.0006","90","","99.499","0.001","90","","2441.51","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0405","0.0291","","","0.0664","0.0715","","","","","","1.022","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244398","13.134","0.0006","14.9016","0.0006","14.5799","0.0007","90","","96.515","0.003","90","","2835.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","1.54178","CuKα","","0.0806","0.055","","","0.1289","0.1437","","","","","","1.042","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244399","13.0807","0.0007","7.4178","0.0003","25.4738","0.0013","90","","99.502","0.002","90","","2437.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0323","0.0263","","","0.0654","0.069","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244400","13.1387","0.001","14.9262","0.001","14.6051","0.0011","90","","96.62","0.002","90","","2845.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0934","0.0409","","","0.0811","0.1011","","","","","","1.009","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244401","13.0941","0.0008","7.422","0.0004","25.495","0.0017","90","","99.487","0.002","90","","2443.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0604","0.0341","","","0.0671","0.078","","","","","","1.037","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244402","13.118","0.003","14.899","0.002","14.576","0.003","90","","96.581","0.009","90","","2830","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1968","0.0635","","","0.0834","0.12","","","","","","0.992","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244403","10.4119","0.0004","22.7476","0.0009","13.0866","0.0005","90","","98.274","0.001","90","","3067.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0666","0.038","","","0.0809","0.0934","","","","","","1.039","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244404","13.0845","0.0008","7.4155","0.0004","25.4585","0.0016","90","","99.476","0.002","90","","2436.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0688","0.037","","","0.0707","0.0811","","","","","","1.007","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244405","15.8551","0.0003","15.1122","0.0003","23.9203","0.0005","90","","90","","90","","5731.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0289","0.0255","","","0.0652","0.0665","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244406","10.4162","0.0002","22.7272","0.0005","13.1011","0.0003","90","","98.322","0.001","90","","3068.78","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0615","0.037","","","0.0814","0.095","","","","","","1.033","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244407","15.8587","0.0003","15.1167","0.0003","23.9409","0.0005","90","","90","","90","","5739.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0366","0.0302","","","0.0751","0.0772","","","","","","1.032","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244408","10.4146","0.0007","22.7238","0.0013","13.0926","0.0009","90","","98.34","0.002","90","","3065.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.101","0.0431","","","0.0819","0.1028","","","","","","1.026","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244409","12.5724","0.0006","20.9451","0.001","14.521","0.0008","90","","115.589","0.002","90","","3448.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C36.71 H23.76 B Cl6.3 N6 O -","- C36.705 H23.755 B Cl6.295 N6 O -","- C146.82 H95.02 B4 Cl25.18 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1119","0.0506","","","0.1209","0.1607","","","","","","1.068","","","","has coordinates,has disorder","274972","2022-05-05","20:31:07",""
"7244410","15.891","0.0005","15.1094","0.0005","23.9482","0.0007","90","","90","","90","","5750","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0329","0.0301","","","0.0787","0.0801","","","","","","1.044","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244411","10.4152","0.0003","22.7421","0.0007","13.1005","0.0004","90","","98.286","0.001","90","","3070.64","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0504","0.0327","","","0.0745","0.0829","","","","","","1.024","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244412","15.8915","0.0006","15.1172","0.0006","23.9514","0.0009","90","","90","","90","","5754","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.032","0.0284","","","0.0735","0.075","","","","","","1.04","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244421","6.728","0.003","9.172","0.005","10.765","0.006","106.416","0.014","91.946","0.013","91.011","0.01","636.6","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","4-cyanophenyl 4-(methylthio)benzoate","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C30 H22 N2 O4 S2 -","2","1","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","","0.71075","MoKα","","0.0551","0.0515","","","0.1247","0.1275","","","","","","1.202","","","","has coordinates","274971","2022-05-05","20:29:55",""
"7244422","22.6272","0.0012","5.4014","0.0003","7.6641","0.0004","90","","95.178","0.005","90","","932.87","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-phenylene bis(4-(methylthio)benzoate)","","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","1","0.25","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0344","0.0314","","","0.0817","0.0835","","","","","","1.065","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244423","9.3222","0.0003","13.9997","0.0005","13.3672","0.0005","90","","99.663","0.004","90","","1719.78","0.11","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","1SCB","","","- C14 H11 N S -","- C14 H11 N S -","- C84 H66 N6 S6 -","6","3","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0547","0.0439","","","0.1201","0.1276","","","","","","0.916","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244424","21.1362","0.0006","11.2833","0.0002","38.192","0.002","90","","104.463","0.004","90","","8819.6","0.6","297","2","297","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C336 H312 Cl16 Cu8 N32 O68 S16 -","- C336 H312 Cl16 Cu8 N32 O68 S16 -","- C336 H312 Cl16 Cu8 N32 O68 S16 -","1","0.125","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","x-ray","1.54184","CuKα","","0.1247","0.1106","","","0.2839","0.2952","","","","","","1.063","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244425","17.0171","0.0003","9.2223","0.0001","13.3042","0.0002","90","","96.124","0.002","90","","2076","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl2 Cu N2 S -","- C21 H22 Cl2 Cu N2 S -","- C84 H88 Cl8 Cu4 N8 S4 -","4","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","x-ray","1.54184","CuKα","","0.0423","0.0406","","","0.1082","0.1098","","","","","","1.042","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244426","8.7543","0.0002","8.91433","0.00017","14.2328","0.0006","92.973","0.003","97.234","0.003","113.73","0.002","1002.26","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 Cu N2 S -","- C21 H20 Cl2 Cu N2 S -","- C42 H40 Cl4 Cu2 N4 S2 -","2","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","","1.54184","CuKα","","0.0873","0.0853","","","0.2628","0.2633","","","","","","1.194","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244427","19.10688","0.00011","9.75754","0.00006","26.37158","0.00016","90","","90","","90","","4916.62","0.05","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl5 Cu N2 S -","- C22 H23 Cl5 Cu N2 S -","- C176 H184 Cl40 Cu8 N16 S8 -","8","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","","1.54184","CuKα","","0.0539","0.0513","","","0.0988","0.1001","","","","","","1.098","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244428","15.4634","0.0001","16.5496","0.0001","18.8584","0.0001","90","","111.195","0.001","90","","4499.65","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl2 Cu N4 O9 S2 -","- C43 H48 Cl2 Cu N4 O9 S2 -","- C172 H192 Cl8 Cu4 N16 O36 S8 -","4","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","","1.54184","CuKα","","0.0765","0.0736","","","0.2109","0.2138","","","","","","1.083","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244437","9.9844","0.0003","11.0973","0.0002","12.3341","0.0003","98.816","0.002","106.224","0.002","101.344","0.0019","1254.7","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0445","0.0278","","","0.059","0.0658","","","","","","1.0278","","","","has coordinates","274974","2022-05-05","20:32:27",""
"7244438","9.688","0.002","10.331","0.002","12.372","0.003","97.57","0.02","104.512","0.019","102.93","0.02","1145","0.5","298","","298","","992","","992","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1126","0.0994","","","0.2185","0.2264","","","","","","1.131","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244439","9.645","0.005","10.125","0.006","12.395","0.006","96.68","0.05","104.09","0.05","104.23","0.05","1117.8","1.1","298","","298","","1590","","1590","","","","","5","P -1","-P 1","2","","","","- C24 H8 Au2 Cu N8 -","- C24 H15 Au2 Cu N8 -","- C48 H30 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2352","0.1856","","","0.3703","0.4134","","","","","","1.169","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244440","7.8055","0.0007","18.3374","0.0016","22.0881","0.0017","90","","90","","90","","3161.5","0.5","342.9","0.7","342.9","0.7","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0592","0.038","","","0.0744","0.0818","","","","","","1.036","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244441","9.916","0.002","10.95","0.003","12.278","0.002","98.765","0.019","105.877","0.017","101.38","0.02","1226.6","0.5","298","","298","","100","","100","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1023","0.0874","","","0.1978","0.2056","","","","","","1.127","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244442","9.64","0.006","10.225","0.007","12.417","0.008","97.79","0.07","103.42","0.06","104.21","0.07","1129.8","1.4","298","","298","","1340","","1340","","","","","5","P -1","-P 1","2","","","","- C24 H17 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2059","0.1601","","","0.3583","0.3884","","","","","","1.033","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244443","20.838","0.0015","13.0922","0.0005","16.616","0.001","90","","103.178","0.007","90","","4413.7","0.5","298","","298","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Au2 Cu F6 N10 O S -","- C44 H30 Au2 Cu F6 N10 O S -","- C176 H120 Au8 Cu4 F24 N40 O4 S4 -","4","0.5","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.066","0.0376","","","0.0671","0.0769","","","","","","1.028","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244444","9.9689","0.0003","11.1085","0.0004","12.3564","0.0004","98.799","0.003","106.251","0.003","101.677","0.003","1254.1","0.08","343","5","343","5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0619","0.0364","","","0.0654","0.0733","","","","","","1.035","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244445","9.9382","0.0003","10.9997","0.0003","12.2677","0.0003","99.233","0.002","106.193","0.002","100.783","0.002","1232.57","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0514","0.0454","","","0.1224","0.1268","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244446","9.953","0.0003","11.0325","0.0003","12.3018","0.0004","99.041","0.002","106.26","0.003","100.966","0.002","1240.98","0.07","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0422","0.0356","","","0.0864","0.0904","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244447","7.7631","0.001","18.2826","0.0019","22.013","0.002","90","","90","","90","","3124.3","0.6","298","","298","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.056","0.0391","","","0.0814","0.0896","","","","","","1.0818","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244448","11.1876","0.0007","11.8612","0.0008","12.4954","0.0007","98.846","0.005","101.818","0.005","97.377","0.005","1581.6","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au2 Cu N8 O3 -","- C28 H30 Au2 Cu N8 O3 -","- C56 H60 Au4 Cu2 N16 O6 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0737","0.0427","","","0.0531","0.0624","","","","","","0.982","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244449","7.7326","0.0002","18.2993","0.0006","22.0376","0.0006","90","","90","","90","","3118.35","0.16","200","","200","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.047","0.038","","","0.0783","0.0814","","","","","","1.16","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244450","15.2706","0.001","14.29","0.0006","12.7118","0.001","90","","114.476","0.009","90","","2524.6","0.3","298","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Au2 Cu N8 O -","- C24 H18 Au2 Cu N8 O -","- C96 H72 Au8 Cu4 N32 O4 -","4","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0673","0.036","","","0.0551","0.0639","","","","","","0.994","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244451","11.7397","0.0011","12.2661","0.0014","13.3343","0.0017","87.894","0.01","75.657","0.009","64.038","0.01","1666.9","0.4","295","5","295","5","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 Au2 Cu2 N11 -","- C32 H21 Au2 Cu2 N11 -","- C64 H42 Au4 Cu4 N22 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0992","0.0539","","","0.1329","0.1903","","","","","","1.025","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244481","13.5207","0.0004","11.759","0.0003","7.7352","0.0002","90","","97.6","0.002","90","","1219.02","0.06","229.99","0.1","229.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 O6 -","- C14 H10 O6 -","- C56 H40 O24 -","4","1","","Gan, Shaoyan; Yin, Jingru; Yu, Zhiyou; Song, Lijuan; Shi, Lei","A one-pot and two-stage Baeyer–Villiger reaction using 2,2′-diperoxyphenic acid under biomolecule-compatible conditions","Green Chemistry","2022","24","5","2232","2239","10.1039/D1GC04478H","","x-ray","1.54184","CuKα","","0.0556","0.0522","","","0.1475","0.1525","","","","","","1.052","","","","has coordinates","274987","2022-05-05","20:37:07",""
"7244482","26.979","0.004","9.2286","0.0012","14.3392","0.0019","90","","102.602","0.002","90","","3484.1","0.8","296","1","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","1","","He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao","Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations","Green Chemistry","2022","24","6","2483","2491","10.1039/D1GC04479F","","","0.71073","MoKα","","0.0609","0.0439","","","0.1228","0.1375","","","","","","1.026","","","","has coordinates","274991","2022-05-05","20:37:42",""
"7244483","8.224","0.004","14.043","0.007","21.164","0.01","90","","90","","90","","2444","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N O3 -","- C30 H31 N O3 -","- C120 H124 N4 O12 -","4","1","","He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao","Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations","Green Chemistry","2022","24","6","2483","2491","10.1039/D1GC04479F","","","1.34139","GaKα","","0.1001","0.0694","","","0.1734","0.207","","","","","","1.099","","","","has coordinates","274991","2022-05-05","20:37:42",""
"7244484","8.0026","0.0011","15.666","0.002","8.8626","0.0012","90","","93.268","0.003","90","","1109.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao","Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations","Green Chemistry","2022","24","6","2483","2491","10.1039/D1GC04479F","","","0.71073","MoKα","","0.1044","0.0555","","","0.0955","0.1114","","","","","","1.004","","","","has coordinates","274991","2022-05-05","20:37:42",""
"7244501","8.1444","0.0001","14.7371","0.0002","18.1313","0.0003","90","","90","","90","","2176.21","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0365","0.0329","","","0.0882","0.0918","","","","","","1.089","","","","has coordinates","274973","2022-05-05","20:32:04",""
"7244502","9.6737","0.0002","13.7426","0.0003","17.4902","0.0004","90","","90","","90","","2325.18","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Br O2 -","- C28 H33 Br O2 -","- C112 H132 Br4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0383","0.0311","","","0.0753","0.0781","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244503","7.4163","0.0002","24.3559","0.0006","26.0244","0.0006","90","","90","","90","","4700.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C224 H256 Br8 Cl8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0574","0.0387","","","0.067","0.0754","","","","","","1.056","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244504","9.6037","0.0002","14.6224","0.0004","16.3071","0.0004","90","","90","","90","","2289.99","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0453","0.0386","","","0.103","0.1084","","","","","","1.064","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244505","7.3425","0.0004","19.7162","0.0012","31.4052","0.0019","90","","90","","90","","4546.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C224 H256 Cl8 F8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0867","0.0637","","","0.154","0.1694","","","","","","1.027","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244506","7.5823","0.0002","12.3043","0.0004","24.7321","0.0008","90","","90","","90","","2307.38","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl2 O2 -","- C28 H32 Cl2 O2 -","- C112 H128 Cl8 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0471","0.0387","","","0.0891","0.0949","","","","","","1.043","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244507","16.9823","0.0003","19.7469","0.0004","7.0709","0.0001","90","","90","","90","","2371.21","0.07","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Br O2.5 -","- C28.0006 H32.0005 Br1.0001 O2.5 -","- C112.002 H128.002 Br4.0004 O10 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0631","0.0437","","","0.1099","0.121","","","","","","1.031","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244508","9.5984","0.0002","13.7895","0.0004","17.3969","0.0004","90","","90","","90","","2302.6","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0403","0.0352","","","0.0836","0.0877","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244509","7.5079","0.0002","10.4189","0.0003","30.1049","0.0009","90","","90","","90","","2354.93","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C112 H128 Br4 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0553","0.0386","","","0.0788","0.0873","","","","","","1.018","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244510","8.2415","0.0003","14.6409","0.0006","17.9646","0.0008","90","","90","","90","","2167.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0728","0.0498","","","0.1137","0.128","","","","","","1.036","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244511","8.1994","0.0002","9.5995","0.0002","29.1554","0.0007","90","","90","","90","","2294.83","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0945","0.1027","","","","","","1.068","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244512","7.357","0.0001","15.9989","0.0003","19.5774","0.0004","90","","90","","90","","2304.34","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0497","0.0402","","","0.0988","0.1061","","","","","","1.029","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244522","32.7746","0.0006","8.1052","0.0001","8.3503","0.0002","90","","95.503","0.002","90","","2207.99","0.07","173","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","0.5","","Wang, Yuyin; Su, Bin; Lin, Guoming; Lou, Huiru; Wang, Shouxin; Yue, Cheng-Yang; Lei, Xiaowu","Exploring the Ruddlesden–Popper layered organic–inorganic hybrid semiconducting perovskite for visible-blind ultraviolet photodetection","CrystEngComm","2022","24","12","2258","2263","10.1039/D1CE01431E","","","1.54184","CuKα","","0.0807","0.0796","","","0.1819","0.1855","","","","","","0.996","","","","has coordinates","274975","2022-05-05","20:32:35",""
"7244523","12.6825","0.0003","14.325","0.0004","26.5675","0.0006","90","","90","","90","","4826.7","0.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H25 N3 O6 -","- C26 H25 N3 O6 -","- C208 H200 N24 O48 -","8","1","","Maiti, Debajit; Das, Ranajit; Prabakar, Tejas; Sen, Subhabrata","Blue LED induced solvent-free multicomponent reactions among aryl diazoacetates, pyridine derivatives and maleimides: direct eco-friendly synthesis of densely functionalized itaconimides","Green Chemistry","2022","24","7","3001","3008","10.1039/D1GC03546K","","","0.71073","MoKα","","0.1499","0.1071","","","0.288","0.3348","","","","","","1.068","","","","has coordinates","274995","2022-05-05","20:38:32",""
"7244524","16.8521","0.0004","11.9552","0.0002","26.6656","0.0006","90","","108.107","0.003","90","","5106.3","0.2","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H19.67 N3 O4.33 S -","- C16 H19.6667 N3 O4.33333 S -","- C192 H236 N36 O52 S12 -","12","3","","Ji, Xiongtao; Wang, Jingkang; Wang, Ting; Huang, Xin; Li, Xin; Wang, Na; Huang, Yunhai; Li, Rui; Zhao, Bugui; Zhang, Tao; Hao, Hongxun","Understanding the role of solvent in regulating the crystal habit","CrystEngComm","2022","24","12","2226","2240","10.1039/D1CE01486B","","","1.54184","CuKα","","0.0555","0.053","","","0.1478","0.1515","","","","","","1.035","","","","has coordinates","274976","2022-05-05","20:32:43",""
"7244542","16.3085","0.0004","7.9252","0.0002","21.384","0.0006","90","","90","","90","","2763.84","0.12","110","","110","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","1.54178","CuKα","","0.074","0.0719","","","0.1937","0.1962","","","","","","1.073","","","","has coordinates","274992","2022-05-05","20:37:57",""
"7244543","13.9329","0.0005","6.1434","0.0002","19.2618","0.0007","90","","96.736","0.0015","90","","1637.34","0.1","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O5 S -","- C16 H20 O5 S -","- C64 H80 O20 S4 -","4","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","1.54178","CuKα","","0.037","0.0353","","","0.0949","0.0962","","","","","","1.055","","","","has coordinates","274992","2022-05-05","20:37:58",""
"7244544","10.8206","0.0005","6.2424","0.0003","12.0066","0.0005","90","","109.921","0.001","90","","762.48","0.06","110","","110","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C32 H40 O12 -","2","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","1.54178","CuKα","","0.0322","0.0308","","","0.0793","0.0802","","","","","","1.057","","","","has coordinates","274992","2022-05-05","20:37:58",""
"7244545","21.6035","0.0006","7.9904","0.0002","16.8357","0.0005","90","","90","","90","","2906.19","0.14","110","","110","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H20 O3 S -","- C15 H20 O3 S -","- C120 H160 O24 S8 -","8","2","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","0.71073","MoKα","","0.0599","0.0555","","","0.1589","0.1629","","","","","","1.07","","","","has coordinates,has disorder","274992","2022-05-05","20:37:58",""
"7244580","16.392","0.0006","7.1332","0.0004","20.1084","0.0008","90","","95.662","0.004","90","","2339.75","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","2","","Ren, Jie; Pi, Chao; Cui, Xiuling; Wu, Yangjie","Divergent C(sp2)–H arylation of heterocycles via organic photoredox catalysis","Green Chemistry","2022","24","7","3017","3022","10.1039/D1GC04825B","","x-ray","1.54184","CuKα","","0.0687","0.0497","","","0.1265","0.1434","","","","","","1.045","","","","has coordinates","274997","2022-05-05","20:38:47",""
"7244581","8.9535","0.0003","14.0575","0.0005","9.4542","0.0003","90","","90.799","0.002","90","","1189.83","0.07","149.44","","149.44","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Zhou, Bei; He, Yu-Juan; Tao, Yun-Feng; Liu, Lan-Xiang; Hu, Min; Chang, Zu-Hui; Lei, Hong; Lin, Jun; Lin, Tong; Du, Guan-Ben","Electrocatalytic synthesis of α,α-gem-dihalide ketones from α-mono-halide ketones and unexpected dimer condensation","Green Chemistry","2022","24","7","2859","2870","10.1039/D1GC04584A","","","1.54178","CuKα","","0.0826","0.0669","","","0.1616","0.1745","","","","","","1.097","","","","has coordinates","274999","2022-05-05","20:38:59",""
"7244591","7.9813","0.0006","11.4019","0.001","17.8408","0.0008","92.73","0.005","90.852","0.005","108.525","0.007","1536.9","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","","Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong","Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone","Green Chemistry","2022","24","7","2919","2926","10.1039/D1GC04892A","","x-ray","1.54184","CuKα","","0.1128","0.1046","","","0.3058","0.313","","","","","","1.039","","","","has coordinates","274996","2022-05-05","20:38:40",""
"7244592","8.21","0.0004","9.4039","0.0006","10.1909","0.0008","111.938","0.007","99.562","0.005","97.455","0.005","703.68","0.09","293.75","0.1","293.75","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong","Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone","Green Chemistry","2022","24","7","2919","2926","10.1039/D1GC04892A","","x-ray","0.71073","MoKα","","0.0469","0.0407","","","0.1009","0.1065","","","","","","1.043","","","","has coordinates","274996","2022-05-05","20:38:41",""
"7244593","11.7113","0.0006","9.8511","0.0005","25.285","0.0014","90","","97.144","0.005","90","","2894.5","0.3","293.75","0.1","293.75","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","2","","Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong","Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone","Green Chemistry","2022","24","7","2919","2926","10.1039/D1GC04892A","","x-ray","0.71073","MoKα","","0.0595","0.0479","","","0.1163","0.125","","","","","","1.013","","","","has coordinates","274996","2022-05-05","20:38:41",""
"7244594","12.6474","0.0009","7.3679","0.0005","17.5437","0.0013","90","","110.655","0.009","90","","1529.7","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong","Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone","Green Chemistry","2022","24","7","2919","2926","10.1039/D1GC04892A","","x-ray","1.54184","CuKα","","0.0589","0.0474","","","0.1173","0.1276","","","","","","1.036","","","","has coordinates","274996","2022-05-05","20:38:41",""
"7244625","11.9441","0.0016","12.2012","0.0017","13.45","0.0019","76.259","0.002","72.322","0.002","79.906","0.002","1802.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C84 H72 N8 O4 S4 -","4","2","","Chen, Ziren; Xue, Fei; Liu, Tianxiang; Wang, Bin; Zhang, Yonghong; Jin, Weiwei; Xia, Yu; Liu, Chenjiang","Synthesis of β-hydroxysulfides via visible-light-driven and EDA complex-promoted hydroxysulfenylation of styrenes with heterocyclic thiols in EtOH under photocatalyst-free conditions","Green Chemistry","2022","24","8","3250","3256","10.1039/D2GC00121G","","","0.71073","MoKα","","0.0628","0.0417","","","0.1007","0.1137","","","","","","1.024","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7244626","24.764","0.005","12.538","0.003","13.43","0.003","90","","91.148","0.003","90","","4169.1","1.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H71 Cl8 N8 O4 S4 -","- C87 H71 Cl8 N8 O4 S4 -","- C174 H142 Cl16 N16 O8 S8 -","2","0.5","","Chen, Ziren; Xue, Fei; Liu, Tianxiang; Wang, Bin; Zhang, Yonghong; Jin, Weiwei; Xia, Yu; Liu, Chenjiang","Synthesis of β-hydroxysulfides via visible-light-driven and EDA complex-promoted hydroxysulfenylation of styrenes with heterocyclic thiols in EtOH under photocatalyst-free conditions","Green Chemistry","2022","24","8","3250","3256","10.1039/D2GC00121G","","","0.71073","MoKα","","0.0807","0.0494","","","0.1375","0.1564","","","","","","1.038","","","","has coordinates","274985","2022-05-05","20:36:55",""
"7244644","4.998","0.0005","19.0007","0.0014","18.7257","0.0019","90","","96.275","0.011","90","","1767.6","0.3","150","0.7","150","0.7","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O5 -","- C24 H16 O5 -","- C96 H64 O20 -","4","1","","Karmakar, Indrajit; Brahmachari, Goutam","Electrochemical and mechanochemical synthesis of dihydrofuro[3,2-c]chromenones via intramolecular Csp3–H cross-dehydrogenative oxygenation within warfarin frameworks: an efficient and straightforward dual approach","Green Chemistry","2022","24","7","2825","2838","10.1039/D2GC00146B","","x-ray","0.71073","MoKα","","0.1489","0.0982","","","0.2102","0.2541","","","","","","0.934","","","","has coordinates","274994","2022-05-05","20:38:25",""
"7244654","19.7085","0.0008","12.403","0.0006","32.0285","0.0014","90","","90","","90","","7829.2","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H48 Li N4 -","- C46 H48 Li N4 -","- C368 H384 Li8 N32 -","8","2","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","1.54184","CuKα","","0.1121","0.0883","","","0.1957","0.2116","","","","","","1.058","","","","has coordinates,has disorder","273879","2022-03-21","23:40:08",""
"7244655","9.6059","0.0003","17.2348","0.0006","23.4133","0.0008","90","","100.209","0.001","90","","3814.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 K N4 -","- C46 H48 K N4 -","- C184 H192 K4 N16 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0646","0.0447","","","0.0978","0.1068","","","","","","1.015","","","","has coordinates","273879","2022-03-21","23:40:09",""
"7244656","18.7293","0.0011","12.8174","0.0008","19.6609","0.0012","90","","103.238","0.002","90","","4594.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N6 Na -","- C56 H56 N6 Na -","- C224 H224 N24 Na4 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0707","0.0482","","","0.1012","0.1112","","","","","","1.044","","","","has coordinates","273879","2022-03-21","23:40:09",""
"7244664","9.1359","0.0003","10.8744","0.0003","12.1839","0.0002","83.076","0.002","88.393","0.002","84.055","0.002","1195","0.06","149.98","0.1","149.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 O5 -","- C29 H24 O5 -","- C58 H48 O10 -","2","1","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","x-ray","1.54184","CuKα","","0.0558","0.051","","","0.1428","0.1498","","","","","","1.0271","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244665","12.0593","0.0007","16.1161","0.001","20.7106","0.0009","90","","90","","90","","4025.1","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H20 O6 -","- C23 H20 O6 -","- C184 H160 O48 -","8","1","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","1.3414","GaKα","","0.0804","0.067","","","0.1843","0.2027","","","","","","1.07","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244666","16.277","0.003","14.959","0.003","19.366","0.004","90","","90","","90","","4715.4","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C224 H192 O40 -","8","1","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","0.71073","MoKα","","0.1053","0.0931","","","0.1925","0.2006","","","","","","1.004","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244667","20.333","0.004","6.4811","0.0013","35.365","0.007","90","","90","","90","","4660.4","1.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C224 H192 O40 -","8","2","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","0.71073","MoKα","","0.0738","0.0592","","","0.1427","0.1542","","","","","","1.119","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244670","6.3843","0.0011","7.1053","0.0012","15.724","0.003","90","","100.963","0.007","90","","700.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-3-((4-bromophenyl)amino)-1-phenylbut-2-en-1-one","","- C16 H14 Br N O -","- C16 H14 Br0.5 N O -","- C32 H28 Br N2 O2 -","2","0.5","","Goh, Jeffrey; Ong, Seng Kheong; Tan, Yan Sheng; Loh, Teck-Peng","Catalyst-free C–N bond formation under biocompatible reaction conditions","Green Chemistry","2022","24","8","3321","3325","10.1039/D2GC00027J","","x-ray","0.71073","MoKα","","0.0415","0.0298","","","0.0621","0.066","","","","","","1.042","","","","has coordinates,has disorder","274982","2022-05-05","20:36:23",""
"7244678","20.3983","0.0008","8.668","0.0003","14.0946","0.0006","90","","125.998","0.002","90","","2016.2","0.15","301","2","301","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Yuan, Zhenbo; Lu, Liushen; Liu, Meiling; Liu, Xuanzhong; Liu, Changmei; Yin, Dejing; Zhang, Yan; Rao, Yijian","Natural product cercosporin as a bioinspired photocatalyst for the synthesis of peptides containing kynurenine via an energy transfer mechanism","Green Chemistry","2022","24","8","3277","3283","10.1039/D2GC00116K","","","1.54178","CuKα","","0.062","0.0596","","","0.1787","0.1829","","","","","","1.179","","","","has coordinates","274986","2022-05-05","20:37:02",""
"7244714","6.5529","0.0001","7.7286","0.0001","27.9324","0.0002","90","","93.449","0.001","90","","1412.07","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Benzylsulfonyl)-1-(4-nitrophenyl)ethan-1-one","","- C15 H13 N O5 S -","- C15 H13 N O5 S -","- C60 H52 N4 O20 S4 -","4","1","","Chikunova, Elena I.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.","Atom-economic synthesis of β-ketosulfones based on gold-catalyzed highly regioselective hydration of alkynylsulfones","Green Chemistry","2022","24","8","3314","3320","10.1039/D2GC00541G","","","1.54184","CuKα","","0.0331","0.0319","","","0.0867","0.0878","","","","","","1.088","","","","has coordinates","274984","2022-05-05","20:36:36",""
"7244715","11.1683","0.0005","9.4026","0.0004","16.7625","0.0009","90","","95.079","0.005","90","","1753.34","0.14","303.84","0.1","303.84","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Br N O3 S -","- C17 H18 Br N O3 S -","- C68 H72 Br4 N4 O12 S4 -","4","1","","Guo, Sheng-Qiang; Yang, Hui-Qing; Jiang, Yu-Zhen; Wang, Ai-Lian; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Zheng, Haixue; Xu, Peng-Fei","Organophotoredox catalytic four-component radical-polar crossover cascade reactions for the stereoselective synthesis of β-amido sulfones","Green Chemistry","2022","24","8","3120","3124","10.1039/D2GC00224H","","x-ray","0.71073","MoKα","","0.097","0.0563","","","0.1118","0.1262","","","","","","1.025","","","","has coordinates","274983","2022-05-05","20:36:30",""
"7244749","24.355","0.002","6.4076","0.0007","13.2555","0.0016","90","","90","","90","","2068.6","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H25 N O3 -","- C27 H25 N O3 -","- C108 H100 N4 O12 -","4","1","","Dong, Pei-Zhen; Qiu, Bin; An, Xiao-De; Xiao, Jian","Cascade dearomative [4 + 2] cycloaddition of indoles with in situ generated ortho-quinone methides: practical access to divergent indoline-fused polycycles","Green Chemistry","2022","24","9","3772","3777","10.1039/D2GC00387B","","","1.54184","CuKα","","0.1635","0.0842","","","0.1873","0.2664","","","","","","0.994","","","","has coordinates","275785","2022-06-06","01:47:37",""
"7244750","9.2685","0.0008","18.7779","0.0014","10.9806","0.001","90","","101.311","0.009","90","","1874","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","1","","Dong, Pei-Zhen; Qiu, Bin; An, Xiao-De; Xiao, Jian","Cascade dearomative [4 + 2] cycloaddition of indoles with in situ generated ortho-quinone methides: practical access to divergent indoline-fused polycycles","Green Chemistry","2022","24","9","3772","3777","10.1039/D2GC00387B","","","1.54184","CuKα","","0.1214","0.0572","","","0.1032","0.1399","","","","","","0.983","","","","has coordinates","275785","2022-06-06","01:47:37",""
"7244751","11.9483","0.0006","17.9325","0.0013","16.013","0.0011","90","","90.01","0.006","90","","3431","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C184 H136 N8 O24 -","8","1","","Dong, Pei-Zhen; Qiu, Bin; An, Xiao-De; Xiao, Jian","Cascade dearomative [4 + 2] cycloaddition of indoles with in situ generated ortho-quinone methides: practical access to divergent indoline-fused polycycles","Green Chemistry","2022","24","9","3772","3777","10.1039/D2GC00387B","","","1.54178","CuKα","","0.1454","0.0951","","","0.2612","0.3137","","","","","","1.015","","","","has coordinates","275785","2022-06-06","01:47:37",""
"7244752","23.861","0.0008","6.1612","0.0002","10.0136","0.0003","90","","95.846","0.002","90","","1464.47","0.08","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H44 O6 -","- C32 H44 O6 -","- C64 H88 O12 -","2","0.5","","Freese, Thomas; Fridrich, Bálint; Crespi, Stefano; Lubbe, Anouk S.; Barta, Katalin; Feringa, Ben L.","A molecular motor from lignocellulose","Green Chemistry","2022","24","9","3689","3696","10.1039/D2GC00291D","","","1.54178","CuKα","","0.0386","0.0353","","","0.0823","0.0842","","","","","","1.16","","","","has coordinates","275787","2022-06-06","01:48:05",""
"7244753","11.0534","0.0016","11.594","0.0017","12.4153","0.0018","75.979","0.005","86.095","0.005","73.276","0.004","1478.4","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","2","","Freese, Thomas; Fridrich, Bálint; Crespi, Stefano; Lubbe, Anouk S.; Barta, Katalin; Feringa, Ben L.","A molecular motor from lignocellulose","Green Chemistry","2022","24","9","3689","3696","10.1039/D2GC00291D","","","0.71073","MoKα","","0.1187","0.0666","","","0.1478","0.177","","","","","","1.029","","","","has coordinates","275787","2022-06-06","01:48:08",""
"7244843","20.4311","0.0008","10.9478","0.0004","17.313","0.0007","90","","109.488","0.002","90","","3650.6","0.2","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C152 H200 N8 O32 -","8","2","","Tao, Ji-Yu; Wang, Ying-Xue; Zhang, Qing-Hong; Ni, Kun; Zhu, Tong-Hao; Zhao, Kai","Transition-metal-free regioselective and stereoselective C(sp2)–C(sp3) coupling of enamides with ethers or alkanes via photoredox-catalyzed cross-dehydrogenative coupling reactions","Green Chemistry","2022","24","10","4004","4011","10.1039/D2GC00472K","","","1.34139","GaKα","","0.0563","0.0431","","","0.1048","0.1137","","","","","","1.042","","","","has coordinates,has disorder","275783","2022-06-06","01:47:15",""
"7244844","12.313","0.003","13.516","0.003","15.514","0.003","90","","129.048","0.012","90","","2005.1","0.8","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F3 O3 -","- C24 H17 F3 O3 -","- C96 H68 F12 O12 -","4","1","","Zhang, Yan; Ma, Chanchan; Cai, Zhenzhi; Struwe, Julia; Chen, Shengjie; Xu, Jinming; Li, Shiyin; Zeng, Wangyu; Ackermann, Lutz","Electrooxidative tricyclic 6–7–6 fused-system domino assembly to allocolchicines by a removable radical strategy","Green Chemistry","2022","24","9","3697","3703","10.1039/D2GC00684G","","","0.71073","MoKα","","0.1581","0.0822","","","0.2011","0.261","","","","","","1.03","","","","has coordinates","275788","2022-06-06","01:48:17",""
"7244845","34.743","0.002","7.6413","0.0003","19.9522","0.0011","90","","100.316","0.002","90","","5211.3","0.5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 O6 S -","- C31 H26 O6 S -","- C248 H208 O48 S8 -","8","1","","Zhang, Yan; Ma, Chanchan; Cai, Zhenzhi; Struwe, Julia; Chen, Shengjie; Xu, Jinming; Li, Shiyin; Zeng, Wangyu; Ackermann, Lutz","Electrooxidative tricyclic 6–7–6 fused-system domino assembly to allocolchicines by a removable radical strategy","Green Chemistry","2022","24","9","3697","3703","10.1039/D2GC00684G","","","0.71073","MoKα","","0.075","0.055","","","0.1407","0.1597","","","","","","1.035","","","","has coordinates","275788","2022-06-06","01:48:17",""
"7244855","9.7488","0.0001","9.7803","0.0001","14.7582","0.0001","90","","90","","90","","1407.14","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Lu, Hui-Rong; Geng, Hui; Ding, Guan-Tian; Huang, Pei-Qiang","Catalyst- and solvent-free aminolysis of the asymmetric derivatives of Evans’ chiral N-acyloxazolidinones: enantioselective synthesis of chiral amides and its applications","Green Chemistry","2022","24","11","4405","4413","10.1039/D2GC00662F","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0652","0.0654","","","","","","1.061","","","","has coordinates","276627","2022-07-06","08:13:12",""
"7244869","12.403","0.0005","7.2153","0.0002","29.2429","0.0012","90","","90","","90","","2616.99","0.17","170","2","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C128 H112 N16 O16 -","8","1","","Yang, Xinjie; Wang, Hao; Zhang, Yanhua; Su, Weike; Yu, Jingbo","Generation of aryl radicals from in situ activated homolytic scission: driving radical reactions by ball milling","Green Chemistry","2022","24","11","4557","4565","10.1039/D2GC00910B","","","0.71073","MoKα","","0.0498","0.0415","","","0.1042","0.1113","","","","","","1.084","","","","has coordinates","276626","2022-07-06","08:13:07",""
"7244879","5.6","0.02","14.98","0.05","9.85","0.04","90","","105.15","0.04","90","","798","5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H15 N O -","- C23 H15 N O -","- C46 H30 N2 O2 -","2","1","","Bae, Jaehan; Iqbal, Naeem; Hwang, Ho Seong; Cho, Eun Jin","Sustainable preparation of photoactive indole-fused tetracyclic molecules: a new class of organophotocatalysts","Green Chemistry","2022","24","10","3985","3992","10.1039/D2GC00542E","","","0.71073","MoKα","","0.1539","0.0707","","","0.2264","0.2623","","","","","","0.993","","","","has coordinates","275784","2022-06-06","01:47:21",""
"7244947","12.72729","0.00008","5.5688","0.00005","25.1187","0.0002","90","","92.836","0.0007","90","","1778.13","0.02","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F2 N O2 S -","- C22 H15 F2 N O2 S -","- C88 H60 F8 N4 O8 S4 -","4","1","","Ma, Qiang; Li, Ming; Chen, Zhuo; Ni, Shao-Fei; Wright, James S.; Wen, Li-Rong; Zhang, Lin-Bao","An approach for the synthesis of 2-aryl-3-sulfonyl substituted quinolines through an electrochemical cascade annulation pathway","Green Chemistry","2022","24","11","4425","4431","10.1039/D2GC00151A","","x-ray","1.54184","CuKα","","0.0342","0.0336","","","0.0894","0.0899","","","","","","1.033","","","","has coordinates","276628","2022-07-06","08:13:21",""
"7244948","12.5262","0.0004","5.4497","0.0002","25.0014","0.0009","90","","93.991","0.003","90","","1702.56","0.1","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Ma, Qiang; Li, Ming; Chen, Zhuo; Ni, Shao-Fei; Wright, James S.; Wen, Li-Rong; Zhang, Lin-Bao","An approach for the synthesis of 2-aryl-3-sulfonyl substituted quinolines through an electrochemical cascade annulation pathway","Green Chemistry","2022","24","11","4425","4431","10.1039/D2GC00151A","","x-ray","0.71073","MoKα","","0.0409","0.0353","","","0.0989","0.102","","","","","","1.081","","","","has coordinates","276628","2022-07-06","08:13:21",""
"7244962","8.5655","0.0003","25.6875","0.0012","7.7171","0.0003","90","","99.014","0.001","90","","1677","0.12","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F3 N2 O S -","- C19 H13 F3 N2 O S -","- C76 H52 F12 N8 O4 S4 -","4","1","","Chen, Shiliu; Yan, Qinqin; Fan, Jie; Gao, Yongjun; Yang, Xiulong; Li, Lijun; Liu, Zhongquan; Li, Zejiang","Photoinduced cascade cyclization of alkynes with NH4SCN: access to SCN-containing dibenzazepines or dioxodibenzothiazepines","Green Chemistry","2022","24","12","4742","4747","10.1039/D2GC01276F","","","0.71073","MoKα","","0.0929","0.0504","","","0.093","0.1122","","","","","","1.046","","","","has coordinates","276630","2022-07-06","08:13:34",""
"7244963","5.64","0.02","23.42","0.1","24.97","0.09","90","","90","","90","","3298","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 O2 S -","- C17 H20 O2 S -","- C136 H160 O16 S8 -","8","1","","Sharma, Deepak; Hussain, Yaseen; Sharma, Manisha; Chauhan, Pankaj","Electrochemical cascade synthesis of α-thio-substituted masked aldehydes","Green Chemistry","2022","24","12","4783","4788","10.1039/D2GC00845A","","","0.71073","MoKα","","0.1141","0.0654","","","0.1669","0.212","","","","","","1.071","","","","has coordinates","276631","2022-07-06","08:13:42",""
"7244969","8.858","0.0002","9.5201","0.0002","9.7104","0.0002","101.608","0.002","109.911","0.002","92.242","0.002","749","0.03","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Zhou, Chunlin; Wang, Xinchao; Yang, Lei; Fu, Lei; Li, Gang","Visible-light-driven regioselective carbocarboxylation of 1,3-dienes with organic halides and CO2","Green Chemistry","2022","24","16","6100","6107","10.1039/D2GC01256A","","x-ray","1.3405","synchrotron","","0.0556","0.0443","","","0.1139","0.1197","","","","","","1.0649","","","","has coordinates","278424","2022-10-07","00:56:03",""
"7244970","9.5909","0.0004","23.7105","0.0009","10.2921","0.0004","90","","106.352","0.004","90","","2245.8","0.16","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O2 -","- C28 H32 O2 -","- C112 H128 O8 -","4","1","","Zhou, Chunlin; Wang, Xinchao; Yang, Lei; Fu, Lei; Li, Gang","Visible-light-driven regioselective carbocarboxylation of 1,3-dienes with organic halides and CO2","Green Chemistry","2022","24","16","6100","6107","10.1039/D2GC01256A","","x-ray","1.3405","GaKα","","0.0572","0.0451","","","0.1212","0.1295","","","","","","1.106","","","","has coordinates","278424","2022-10-07","00:56:04",""
"7244984","9.8859","0.001","9.9067","0.0009","23.766","0.002","89.459","0.007","81.983","0.008","73.84","0.008","2212.7","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 N3 O2 S -","- C27 H21 N3 O2 S -","- C108 H84 N12 O8 S4 -","4","2","","Meng, Xiangtai; Xu, Hehua; Liu, Rui; Zheng, Yu; Huang, Shenlin","Electrochemical triamination of alkynes: controllable synthesis of functionalized indolines and indoles","Green Chemistry","2022","24","12","4754","4760","10.1039/D2GC01129H","","x-ray","0.71073","MoKα","","0.1101","0.0888","","","0.1899","0.2028","","","","","","1.068","","","","has coordinates","276629","2022-07-06","08:13:27",""
"7244985","8.5563","0.001","11.6457","0.0013","12.4602","0.0016","75.907","0.011","77.454","0.011","74.029","0.01","1142.6","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N2 O4 S -","- C25 H26 N2 O4 S -","- C50 H52 N4 O8 S2 -","2","1","","Meng, Xiangtai; Xu, Hehua; Liu, Rui; Zheng, Yu; Huang, Shenlin","Electrochemical triamination of alkynes: controllable synthesis of functionalized indolines and indoles","Green Chemistry","2022","24","12","4754","4760","10.1039/D2GC01129H","","x-ray","0.71073","MoKα","","0.0535","0.0426","","","0.1018","0.1089","","","","","","1.027","","","","has coordinates","276629","2022-07-06","08:13:28",""
"7244998","11.6739","0.0009","16.4155","0.0012","9.8625","0.0007","90","","108.505","0.002","90","","1792.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O10 -","- C16 H16 N4 O10 -","- C64 H64 N16 O40 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1125","0.0554","","","0.099","0.1184","","","","","","1.056","","","","has coordinates","275692","2022-05-30","22:37:46",""
"7244999","29.0184","0.0013","9.5952","0.0005","16.245","0.0008","90","","120.293","0.001","90","","3905.6","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cd N4 O11 -","- C17 H14 Cd N4 O11 -","- C136 H112 Cd8 N32 O88 -","8","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0705","0.037","","","0.0609","0.0692","","","","","","1.017","","","","has coordinates","275692","2022-05-30","22:37:46",""
"7245000","8.0763","0.0004","13.5075","0.0007","14.4614","0.0007","102.125","0.002","98.222","0.002","105.058","0.002","1456.47","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cu N4 O12 -","- C17 H16 Cu N4 O12 -","- C34 H32 Cu2 N8 O24 -","2","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1024","0.079","","","0.1826","0.1936","","","","","","1.021","","","","has coordinates","275692","2022-05-30","22:37:47",""
"7245001","11.2472","0.0005","29.3","0.0016","13.5309","0.0007","90","","104.223","0.002","90","","4322.3","0.4","172","2","172","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H35 N9 Nd O23 -","- C37 H35 N9 Nd O23 -","- C148 H140 N36 Nd4 O92 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0596","0.04","","","0.0582","0.0628","","","","","","1.032","","","","has coordinates,has disorder","275692","2022-05-30","22:37:47",""
"7245027","8.1325","0.0004","9.3708","0.0005","11.6459","0.0007","74.368","0.002","81.158","0.002","83.467","0.002","842.08","0.08","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Guan, Wenjing; Ying, Ke; Yuan, Chengcheng; Hang, Jinlin; Liu, Chengkou; Huang, Xiangxing; Fang, Zheng; Guo, Kai","Catalyst- and oxidant-free electrooxidative site-selective [3/4 + 2] annulation to fused polycyclic heteroaromatics","Green Chemistry","2022","24","13","5191","5196","10.1039/D2GC01248K","","","0.71073","MoKα","","0.0772","0.0529","","","0.1291","0.1481","","","","","","1.016","","","","has coordinates","276625","2022-07-06","08:12:57",""
"7245081","12.921","0.003","22.128","0.005","14.966","0.004","90","","113.873","0.007","90","","3912.9","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O3 -","- C22 H21 N3 O3 -","- C176 H168 N24 O24 -","8","2","","Sarkar, Rajib; Dam, Binoyargha; Kyndiah, Lenida; Sarkar, Fillip Kumar; Gajurel, Sushmita; Pal, Amarta Kumar","Graphite oxide catalyzed one-pot synthesis of highly functionalized spirodibenzo[1,4]diazepine derivatives in aqueous ethanol medium","Green Chemistry","2022","24","14","5579","5591","10.1039/D2GC00194B","","","0.71073","MoKα","","0.1501","0.0838","","","0.222","0.2658","","","","","","1.023","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7245085","8.0016","0.0016","9.3863","0.0019","18.181","0.004","90","","97.48","0.03","90","","1353.9","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N2 O3 S -","- C12 H13 F N2 O3 S -","- C48 H52 F4 N8 O12 S4 -","4","1","","Guo, Haijin; Liu, Yunyun; Wen, Chengping; Wan, Jie-Ping","Electrochemical enaminone C–H thiolation/C–N amination cascade for thiazole synthesis and its diastereoselective dearomatization","Green Chemistry","2022","24","13","5058","5063","10.1039/D2GC01644C","","","0.71073","MoKα","","0.0491","0.0378","","","0.0961","0.107","","","","","","1.079","","","","has coordinates","276624","2022-07-06","08:12:51",""
"7245136","15.627","0.003","21.005","0.008","21.972","0.006","90","","78.05","0.03","90","","7056","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PTP-dq-PF6","","- C24 H16 Cl F6 N6 P -","- C24 H16 Cl F6 N6 P -","- C288 H192 Cl12 F72 N72 P12 -","12","3","","Rao, Cai-Hui; Ma, Shuai; Cui, Jing-Wang; Jia, Meng-Ze; Yao, Xin-Rong; Zhang, Jie","A bifunctional small molecular photocatalyst with a redox center and a Lewis acid site for one-pot tandem oxidation–acetalization","Green Chemistry","2022","24","15","5862","5868","10.1039/D2GC01321E","","","0.71073","MoKα","","0.2578","0.0957","","","0.2467","0.3531","","","","","","1.017","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7245189","8.8424","0.0009","12.5877","0.0012","26.417","0.004","90","","90","","90","","2940.4","0.6","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Qu, Zhonghua; Tian, Tong; Tan, Yongbo; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen","Redox-neutral ketyl radical coupling/cyclization of carbonyls with N-aryl acrylamides through consecutive photoinduced electron transfer","Green Chemistry","2022","24","19","7403","7409","10.1039/D2GC01966C","","x-ray","0.71073","MoKα","","0.0566","0.0443","","","0.1028","0.1108","","","","","","1.077","","","","has coordinates","278421","2022-10-07","00:55:38",""
"7245190","7.8246","0.0006","9.2051","0.0007","10.7849","0.0012","94.614","0.008","101.272","0.008","99.213","0.007","746.96","0.12","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Qu, Zhonghua; Tian, Tong; Tan, Yongbo; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen","Redox-neutral ketyl radical coupling/cyclization of carbonyls with N-aryl acrylamides through consecutive photoinduced electron transfer","Green Chemistry","2022","24","19","7403","7409","10.1039/D2GC01966C","","x-ray","0.71073","MoKα","","0.0547","0.0469","","","0.1131","0.1209","","","","","","1.054","","","","has coordinates","278421","2022-10-07","00:55:38",""
"7245191","6.7194","0.0006","7.7474","0.0007","12.013","0.0011","88.533","0.007","79.948","0.008","87.813","0.007","615.21","0.1","199.99","0.1","199.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Br O4 S -","- C10 H13 Br O4 S -","- C20 H26 Br2 O8 S2 -","2","1","","Liu, Jiang; Xu, Jingcheng; Mei, Haibo; Han, Jianlin","Electrochemical multi-component reaction of potassium metabisulfite with alkenes and alcohols enabling synthesis of sulfonate esters","Green Chemistry","2022","24","16","6113","6118","10.1039/D2GC01909D","","x-ray","0.71073","MoKα","","0.0601","0.0418","","","0.0872","0.096","","","","","","1.005","","","","has coordinates","278426","2022-10-07","00:56:22",""
"7245192","9.3505","0.001","10.5661","0.0014","11.8126","0.0013","79.178","0.004","74.762","0.003","80.249","0.004","1097.1","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O -","- C29 H21 N3 O -","- C58 H42 N6 O2 -","2","1","","Jalani, Hitesh B.; Sivaraman, Aneesh; Min, Kyoung ho; Lee, Hwa Young; Oh, Na Kyoung; Kang, Hyeseul; Keum, Gyochang; Choi, Yongseok; Lee, Kyeong","Metal/catalyst-free sequential C–N bond forming cascades at room temperature: environment-friendly one-pot synthesis of 5-aminoimidazoles from aryl glyoxals, anilines, and amidines","Green Chemistry","2022","24","17","6501","6510","10.1039/D2GC01407F","","","0.71075","MoKα","","0.0593","0.0472","","","0.133","0.1444","","","","","","1.144","","","","has coordinates","278418","2022-10-07","00:55:11",""
"7245193","8.7917","0.00018","10.247","0.0002","19.1126","0.0004","90","","98.05","0.002","90","","1704.86","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F3 N2 O S -","- C19 H17 F3 N2 O S -","- C76 H68 F12 N8 O4 S4 -","4","1","","Lan, Jianyong; Lin, Kejun; Zhang, Xing; Zhu, Tingshun","Stereoselective migratory heteroaryltrifluoromethylation of allylic amines via electrosynthesis","Green Chemistry","2022","24","16","6138","6144","10.1039/D2GC00960A","","x-ray","1.54184","CuKα","","0.0447","0.0415","","","0.1047","0.1072","","","","","","1.066","","","","has coordinates","278425","2022-10-07","00:56:11",""
"7245194","15.1633","0.001","5.1388","0.0003","17.4106","0.0011","90","","101.494","0.003","90","","1329.45","0.14","209.99","","209.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","LXF-118-nl","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Lei, Xiaofang; Angeli, Giasemi K.; Neochoritis, Constantinos G.; Dömling, Alexander","Sustainable multicomponent indole synthesis with broad scope","Green Chemistry","2022","24","16","6168","6171","10.1039/D2GC02060B","","","1.54178","CuKα","","0.0426","0.0384","","","0.1097","0.1248","","","","","","1.142","","","","has coordinates","278423","2022-10-07","00:55:56",""
"7245195","9.4666","0.0003","9.9691","0.0003","16.311","0.0004","100.153","0.001","104.072","0.001","92.751","0.001","1463.08","0.07","199.98","","199.98","","","","","","","","","5","P -1","-P 1","2","","LXF-125nl","","- C17 H15 Cl N2 O -","- C17 H15 Cl N2 O -","- C68 H60 Cl4 N8 O4 -","4","2","","Lei, Xiaofang; Angeli, Giasemi K.; Neochoritis, Constantinos G.; Dömling, Alexander","Sustainable multicomponent indole synthesis with broad scope","Green Chemistry","2022","24","16","6168","6171","10.1039/D2GC02060B","","","1.54178","CuKα","","0.0413","0.0375","","","0.108","0.1122","","","","","","1.065","","","","has coordinates","278423","2022-10-07","00:55:56",""
"7245196","9.4927","0.0005","9.4927","0.0005","47.965","0.005","90","","90","","90","","4322.2","0.6","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H27 O6 P -","- C23 H27 O6 P -","- C184 H216 O48 P8 -","8","1","","Li, Hai; Yu, Kai-Cheng; Su, Jia-Kun; Ouyang, Wei; Fan, Nai-Li; Hu, Xiang-Guo","Photo-mediated synthesis of 1,2-dideoxy-2-phosphinylated carbohydrates from glycals: the reduction of glycosyl radicals to glycosyl anions","Green Chemistry","2022","24","21","8280","8291","10.1039/D2GC01513G","","","0.71073","MoKα","","0.0505","0.0454","","","0.0966","0.0988","","","","","","1.145","","","","has coordinates","278992","2022-11-07","05:26:47",""
"7245197","11.9882","0.0007","12.7368","0.0008","16.1339","0.0009","90","","90","","90","","2463.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 O8 P -","- C24 H27 O8 P -","- C96 H108 O32 P4 -","4","1","","Li, Hai; Yu, Kai-Cheng; Su, Jia-Kun; Ouyang, Wei; Fan, Nai-Li; Hu, Xiang-Guo","Photo-mediated synthesis of 1,2-dideoxy-2-phosphinylated carbohydrates from glycals: the reduction of glycosyl radicals to glycosyl anions","Green Chemistry","2022","24","21","8280","8291","10.1039/D2GC01513G","","","0.71073","MoKα","","0.0476","0.042","","","0.1002","0.1033","","","","","","1.047","","","","has coordinates","278992","2022-11-07","05:26:47",""
"7245256","10.1227","0.0017","19.823","0.002","21.73","0.005","90","","90","","90","","4360.4","1.3","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MSP-348_250K","","","- C24 H28 F2 N2 O -","- C24 H28 F2 N2 O -","- C192 H224 F16 N16 O8 -","8","1","","Rodríguez, Ricardo I.; Sicignano, Marina; García, Montaña J.; Enríquez, Rodrigo G.; Cabrera, Silvia; Alemán, José","Taming photocatalysis in flow: easy and speedy preparation of α-aminoamide derivatives","Green Chemistry","2022","24","17","6613","6618","10.1039/D2GC02087D","","","0.71073","MoKα","","0.1001","0.0504","","","0.1215","0.1445","","","","","","1.042","","","","has coordinates","278419","2022-10-07","00:55:18",""
"7245271","14.6248","0.0003","11.859","0.0002","11.3672","0.0002","90","","107.271","0.001","90","","1882.58","0.06","193","2","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Guan, Ting; Guo, Jing-Yu; Zhang, Qing-Hong; Xu, Xin-Wen; Yu, Xiao-Yu; Zhang, Yu; Zhao, Kai","Photoredox-catalyzed regio- & stereoselective C(sp2)–H cyanoalkylation of enamides with cycloketone oximes via selective C–C bond cleavage/radical addition cascade","Green Chemistry","2022","24","17","6524","6530","10.1039/D2GC01978G","","","1.34139","GaKα","","0.0508","0.0411","","","0.1011","0.1089","","","","","","1.048","","","","has coordinates","278415","2022-10-07","00:54:49",""
"7245304","9.9628","0.0002","10.1107","0.0002","12.9334","0.0002","71.458","0.002","73.161","0.002","63.999","0.002","1092.75","0.04","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 Se -","- C29 H24 Se -","- C58 H48 Se2 -","2","1","","Mukherjee, Nilanjana; Satyanarayana, Appanapalli N. V.; Singh, Priti; Dixit, Mudit; Chatterjee, Tanmay","Recyclable iodine-catalyzed radical selenylative annulation of 2-alkynyl biaryls with diselenides in water: a green approach to selanyl polycyclic aromatic hydrocarbons and polycyclic heteroaromatics","Green Chemistry","2022","24","18","7029","7038","10.1039/D2GC02256G","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0809","0.0814","","","","","","1.0273","","","","has coordinates","278430","2022-10-07","00:57:09",""
"7245305","15.3921","0.0002","10.1833","0.0001","13.1358","0.0002","90","","107.775","0.001","90","","1960.65","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NM-730","","- C26 H17 Cl Se -","- C26 H17 Cl Se -","- C104 H68 Cl4 Se4 -","4","1","","Mukherjee, Nilanjana; Satyanarayana, Appanapalli N. V.; Singh, Priti; Dixit, Mudit; Chatterjee, Tanmay","Recyclable iodine-catalyzed radical selenylative annulation of 2-alkynyl biaryls with diselenides in water: a green approach to selanyl polycyclic aromatic hydrocarbons and polycyclic heteroaromatics","Green Chemistry","2022","24","18","7029","7038","10.1039/D2GC02256G","","x-ray","1.54184","CuKα","","0.0317","0.0299","","","0.0869","0.0882","","","","","","1.149","","","","has coordinates","278430","2022-10-07","00:57:09",""
"7245306","11.2182","0.0003","10.3531","0.0003","17.3831","0.0005","90","","100.258","0.003","90","","1986.66","0.1","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","NM-731","","- C27 H20 Se -","- C27 H20 Se -","- C108 H80 Se4 -","4","1","","Mukherjee, Nilanjana; Satyanarayana, Appanapalli N. V.; Singh, Priti; Dixit, Mudit; Chatterjee, Tanmay","Recyclable iodine-catalyzed radical selenylative annulation of 2-alkynyl biaryls with diselenides in water: a green approach to selanyl polycyclic aromatic hydrocarbons and polycyclic heteroaromatics","Green Chemistry","2022","24","18","7029","7038","10.1039/D2GC02256G","","x-ray","1.54184","CuKα","","0.0475","0.0435","","","0.1215","0.1256","","","","","","1.0185","","","","has coordinates","278430","2022-10-07","00:57:10",""
"7245307","12.839","0.0012","9.1349","0.0011","13.4055","0.0016","90","","99.269","0.011","90","","1551.7","0.3","249.97","0.1","249.97","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br N2 O S -","- C17 H11 Br N2 O S -","- C68 H44 Br4 N8 O4 S4 -","4","1","","Gu, Qingyun; Cheng, Zhenfeng; Xiong, Xing; Xiong, Biao; Zhao, Yu; Xu, Hua-Dong; Zhang, Yanan; Qiu, Xiaodong; Zeng, Xiaobao","Electrochemical oxidative regio- and stereo-selective thio(seleno)cyanation of enamides and mechanistic insights","Green Chemistry","2022","24","17","6556","6561","10.1039/D2GC01932A","","x-ray","0.71073","MoKα","","0.0876","0.0524","","","0.1072","0.126","","","","","","0.991","","","","has coordinates","278416","2022-10-07","00:54:56",""
"7245329","8.2932","0.001","8.8298","0.0011","12.4718","0.0014","95.863","0.01","90.752","0.01","116.824","0.012","808.94","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br N O3 S -","- C17 H16 Br N O3 S -","- C34 H32 Br2 N2 O6 S2 -","2","1","","Wu, Ying-Ai; Wang, Rui-An; Jiang, Shu-Yun; Jiang, Tai-Bai; Song, Jun-Rong; Shi, Jun; Wu, Wei; Pan, Wei-Dong; Ren, Hai","Water enables the tunable electrochemical synthesis of heterocyclic 3a- or 5a-bromoindolines","Green Chemistry","2022","24","17","6720","6726","10.1039/D2GC02086F","","x-ray","0.71073","MoKα","","0.0813","0.0572","","","0.1393","0.1524","","","","","","1.074","","","","has coordinates","278417","2022-10-07","00:55:02",""
"7245347","7.8039","0.0002","17.1774","0.0004","14.8916","0.0003","90","","91.57","0.002","90","","1995.48","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 B N2 S -","- C20 H33 B N2 S -","- C80 H132 B4 N8 S4 -","4","1","","Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian","A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator","Green Chemistry","2022","24","18","7113","7121","10.1039/D2GC02313J","","x-ray","1.54184","CuKα","","0.0532","0.0505","","","0.133","0.1347","","","","","","1.135","","","","has coordinates","278428","2022-10-07","00:56:47",""
"7245348","6.2427","0.0005","7.8871","0.0006","29.178","0.002","90","","90","","90","","1436.63","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 B N3 O -","- C15 H20 B N3 O -","- C60 H80 B4 N12 O4 -","4","1","","Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian","A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator","Green Chemistry","2022","24","18","7113","7121","10.1039/D2GC02313J","","x-ray","1.54184","CuKα","","0.065","0.0452","","","0.1025","0.1264","","","","","","1.096","","","","has coordinates","278428","2022-10-07","00:56:48",""
"7245349","9.0836","0.0006","9.1558","0.0008","11.0863","0.0008","114.228","0.008","106.84","0.006","93.503","0.006","787.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 B N2 O2 -","- C16 H21 B N2 O2 -","- C32 H42 B2 N4 O4 -","2","1","","Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian","A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator","Green Chemistry","2022","24","18","7113","7121","10.1039/D2GC02313J","","x-ray","1.54184","CuKα","","0.067","0.0514","","","0.1436","0.1538","","","","","","1.058","","","","has coordinates","278428","2022-10-07","00:56:48",""
"7245350","16.3755","0.0011","7.2951","0.0004","23.9248","0.0014","90","","103.152","0.007","90","","2783.1","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Cl2 N O S -","- C15 H9 Cl2 N O S -","- C120 H72 Cl16 N8 O8 S8 -","8","2","","Fu, Yuanyuan; Zhu, Shengzhen; Zhao, Xueyan; Huang, Shenlin","Photoredox-catalyzed coupling of acyl oxime acetates with thiophenols to give arylthioesters in water at room temperature","Green Chemistry","2022","24","18","6849","6853","10.1039/D2GC02438A","","x-ray","0.71073","MoKα","","0.0609","0.047","","","0.107","0.117","","","","","","1.035","","","","has coordinates","278431","2022-10-07","00:57:16",""
"7245376","8.293","0.006","8.812","0.006","19.773","0.014","88.368","0.01","87.164","0.01","67.4","0.01","1332.3","1.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl N3 O3 -","- C27 H28 Cl N3 O3 -","- C54 H56 Cl2 N6 O6 -","2","1","","Zhang, Aijiang; Chen, Changjuan; Zuo, Chunshan; Xu, Xiaobo; Cai, Tao; Li, Xiaotao; Yuan, Ying; Yang, Huanhuan; Meng, Gege","Imidazolium-based ionic liquids containing multipoint hydrogen bond donors as bifunctional organocatalysts for efficient cooperative conversion of CO2 to cyclic carbonates","Green Chemistry","2022","24","18","7194","7207","10.1039/D2GC02517E","","","0.71073","MoKα","","0.1368","0.0938","","","0.2353","0.2639","","","","","","0.965","","","","has coordinates","278433","2022-10-07","00:57:28",""
"7245393","6.9187","0.001","12.6378","0.0019","14.994","0.002","90","","96.541","0.005","90","","1302.5","0.3","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","2","","Meng, Haifang; Xu, Huiying; Zhou, Zhi; Tang, Zhenhao; Li, Yidi; Zhou, Yu; Yi, Wei; Wu, Xiaowei","Recyclable rhodium-catalyzed C–H activation/[4 + 2] annulation with unconventional regioselectivity at ambient temperature: experimental development and mechanistic insight","Green Chemistry","2022","24","18","7012","7021","10.1039/D2GC02347D","","","0.71073","MoKα","","0.1481","0.0692","","","0.1402","0.1807","","","","","","1.008","","","","has coordinates","278434","2022-10-07","00:57:33",""
"7245396","5.6822","0.0004","9.1526","0.0006","14.0751","0.001","108.654","0.002","100.575","0.002","91.47","0.002","678.97","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F O3 S -","- C15 H13 F O3 S -","- C30 H26 F2 O6 S2 -","2","1","","Dam, Binoyargha; Sahoo, Ashish Kumar; Patel, Bhisma K.","Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions","Green Chemistry","2022","24","18","7122","7130","10.1039/D2GC02254K","","","0.71073","MoKα","","0.1331","0.1031","","","0.233","0.2627","","","","","","1.224","","","","has coordinates","278432","2022-10-07","00:57:22",""
"7245397","11.5468","0.0016","10.2038","0.0011","22.824","0.003","90","","90","","90","","2689.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C120 H112 O24 S8 -","8","1","","Dam, Binoyargha; Sahoo, Ashish Kumar; Patel, Bhisma K.","Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions","Green Chemistry","2022","24","18","7122","7130","10.1039/D2GC02254K","","","0.71073","MoKα","","0.1411","0.0621","","","0.1496","0.2039","","","","","","1.06","","","","has coordinates","278432","2022-10-07","00:57:22",""
"7245398","6.4061","0.0014","11.99","0.003","12.381","0.003","96.571","0.008","104.937","0.006","105.103","0.005","870.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","","Pereira, Juliana G.; Ravasco, João M. J. M.; Vale, João R.; Queda, Fausto; Gomes, Rafael F. A.","A direct Diels–Alder reaction of chitin derived 3-acetamido-5-acetylfuran","Green Chemistry","2022","24","18","7131","7136","10.1039/D2GC00253A","","x-ray","0.71073","MoKα","","0.165","0.0751","","","0.1548","0.1761","","","","","","1.042","","","","has coordinates","278435","2022-10-07","00:57:38",""
"7245399","7.23789","0.00013","12.2345","0.0002","13.6811","0.0003","72.142","0.005","82.584","0.006","80.322","0.006","1132.82","0.05","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N3 O9 S -","- C23 H19 N3 O9 S -","- C46 H38 N6 O18 S2 -","2","1","","Yamamoto, Daisuke; Hirano, Issei; Narushima, Yuki; Soga, Masayuki; Ansai, Hiromasa; Makino, Kazuishi","Stereoselective synthesis of the isoxazolidine ring via manganese(iii)-catalysed aminoperoxidation of unactivated alkenes using molecular oxygen in air under ambient conditions","Green Chemistry","2022","24","18","7162","7170","10.1039/D2GC02205B","","","1.54187","CuKα","","0.0462","0.0394","","","0.0929","0.0963","","","","","","1.036","","","","has coordinates","278427","2022-10-07","00:56:38",""
"7245400","15.7934","0.0003","6.97062","0.00013","20.9252","0.0004","90","","106.862","0.008","90","","2204.61","0.12","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O9 S -","- C23 H19 N3 O9 S -","- C92 H76 N12 O36 S4 -","4","1","","Yamamoto, Daisuke; Hirano, Issei; Narushima, Yuki; Soga, Masayuki; Ansai, Hiromasa; Makino, Kazuishi","Stereoselective synthesis of the isoxazolidine ring via manganese(iii)-catalysed aminoperoxidation of unactivated alkenes using molecular oxygen in air under ambient conditions","Green Chemistry","2022","24","18","7162","7170","10.1039/D2GC02205B","","","1.54187","CuKα","","0.0385","0.034","","","0.0828","0.0852","","","","","","1.04","","","","has coordinates","278427","2022-10-07","00:56:39",""
"7245401","11.5777","0.0002","23.2895","0.0004","17.4903","0.0003","90","","92.923","0.007","90","","4709.93","0.14","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H63 Fe3 Mn O6 -","- C54 H63 Fe3 Mn O6 -","- C216 H252 Fe12 Mn4 O24 -","4","1","","Yamamoto, Daisuke; Hirano, Issei; Narushima, Yuki; Soga, Masayuki; Ansai, Hiromasa; Makino, Kazuishi","Stereoselective synthesis of the isoxazolidine ring via manganese(iii)-catalysed aminoperoxidation of unactivated alkenes using molecular oxygen in air under ambient conditions","Green Chemistry","2022","24","18","7162","7170","10.1039/D2GC02205B","","","1.54187","CuKα","","0.1145","0.0785","","","0.1957","0.2166","","","","","","1.081","","","","has coordinates","278427","2022-10-07","00:56:39",""
"7245456","9.206","0.003","10.087","0.003","13.161","0.004","99.033","0.004","97.884","0.004","107.657","0.004","1127.7","0.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C60 H50 N2 O4 -","2","1","","Nie, Chang-Rui; Zhao, Hong-Ping; Liang, Wang-Fu; Zhong, Xin-Xian; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang","Base-catalyzed and DMSO-promoted intramolecular hydroalkoxylation to prepare pentacyclic chromeno[4,3-b]indolines","Green Chemistry","2022","24","18","6854","6859","10.1039/D2GC02225G","","","0.71073","MoKα","","0.0537","0.0417","","","0.1158","0.1257","","","","","","1.034","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7245467","17.2287","0.0005","17.2287","0.0005","50.201","0.003","90","","90","","90","","14901.1","1.1","100","0.2","100","0.2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H30 Br2 N10 Ni O2 -","- C36 H30 Br2 N10 Ni O2 -","- C576 H480 Br32 N160 Ni16 O32 -","16","0.5","","Zhang, Chunyan; Liang, Qianqian; Yang, Wei; Zhang, Guohui; Hu, Maolin; Zhang, Guoying","Nickel(i)-catalyzed (de)hydrogenative coupling of amines and alkyl heteroarenes with alcohols","Green Chemistry","2022","24","19","7368","7375","10.1039/D2GC02206K","","x-ray","0.71073","MoKα","","0.1034","0.0713","","","0.1898","0.2181","","","","","","1.049","","","","has coordinates","278422","2022-10-07","00:55:47",""
"7245475","5.6133","0.0016","11.125","0.003","23.1","0.006","91.6","0.012","90.153","0.012","90.094","0.013","1442","0.7","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","9-benzyl-9H-xanthene","","- C20 H16 O -","- C20 H16 O -","- C80 H64 O4 -","4","2","","Li, Chao; Ding, Ran; Guo, Heng-Yi; Xia, Shuang; Shu, Lei; Wang, Pei-Long; Li, Hongji","Catalyst-free benzylic C(sp3)–H cross-coupling with organotrifluoroborates enabled by electrochemistry","Green Chemistry","2022","24","20","7883","7888","10.1039/D2GC02204D","","","0.71073","MoKα","","0.0768","0.0495","","","0.1192","0.1355","","","","","","1.07","","","","has coordinates","278989","2022-11-07","05:26:20",""
"7245495","21.4567","0.0008","11.733","0.0004","15.3116","0.0005","90","","109.708","0.004","90","","3628.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C152 H200 N8 O24 -","8","2","","Yao, Zhen; Yang, Ji; Luo, Zhenli; Wang, Heyu; Zhang, Xin; Ye, Jianhan; Xu, Lijin; Shi, Qian","Photo-driven metal-free multicomponent reaction between aldehydes, anilines and 4-substituted-DHPs for the synthesis of secondary amines","Green Chemistry","2022","24","20","7968","7973","10.1039/D2GC02613A","","","1.54178","CuKα","","0.1001","0.0648","","","0.1992","0.246","","","","","","1.08","","","","has coordinates","278990","2022-11-07","05:26:27",""
"7245545","15.828","0.0009","9.9575","0.0004","16.1714","0.0009","90","","116.785","0.007","90","","2275.3","0.2","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl4 N O2 -","- C24 H21 Cl4 N O2 -","- C96 H84 Cl16 N4 O8 -","4","1","","Chen, Shaomin; Chen, Zhiyan; Zhang, Tianjian; Zhao, Bo; You, Bo; Li, Minghao; Gu, Yanlong","Brønsted acid-catalyzed cascade cyclization: an efficient strategy for divergent synthesis of cyclohepta[b]indole derivatives","Green Chemistry","2022","24","19","7376","7381","10.1039/D2GC02072F","","x-ray","1.54184","CuKα","","0.1107","0.0866","","","0.2314","0.2709","","","","","","1.035","","","","has coordinates","278420","2022-10-07","00:55:30",""
"7245546","9.1441","0.0002","10.1797","0.0003","10.2607","0.0003","114.406","0.003","94.673","0.002","99.133","0.002","847.17","0.05","170","0.11","170","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl F3 N O4 -","- C16 H17 Cl F3 N O4 -","- C32 H34 Cl2 F6 N2 O8 -","2","1","","Yi, Yaping; Fan, Zhengning; Xi, Chanjuan","Photoredox-catalyzed intermolecular dearomative trifluoromethylcarboxylation of indoles and heteroanalogues with CO2 and fluorinated radical precursors","Green Chemistry","2022","24","20","7894","7899","10.1039/D2GC03000D","","x-ray","1.54184","CuKα","","0.0353","0.0334","","","0.0921","0.0934","","","","","","1.093","","","","has coordinates","278988","2022-11-07","05:26:13",""
"7245547","9.5056","0.0005","28.8708","0.0009","13.6219","0.0008","90","","114.812","0.005","90","","3393.2","0.3","293","2","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Metamitron-Cinnamic acid","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","2","","Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang","Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron","Green Chemistry","2022","24","20","8088","8099","10.1039/D2GC02949A","","x-ray","0.71073","MoKα","","0.0756","0.0517","","","0.1166","0.1361","","","","","","1.038","","","","has coordinates","278986","2022-11-07","05:25:55",""
"7245548","11.8352","0.0012","14.4349","0.0012","6.7368","0.0008","90","","105.77","0.012","90","","1107.6","0.2","113.15","","123.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","Metamitron-Naringenin","","- C25 H22 N4 O6 -","- C25 H22 N4 O6 -","- C50 H44 N8 O12 -","2","1","","Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang","Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron","Green Chemistry","2022","24","20","8088","8099","10.1039/D2GC02949A","","x-ray","0.71073","MoKα","","0.0851","0.0574","","","0.1285","0.1459","","","","","","1.046","","","","has coordinates","278986","2022-11-07","05:25:56",""
"7245549","5.2165","0.0002","13.1426","0.0004","31.0132","0.001","90","","89.95","0.003","90","","2126.21","0.12","113.15","","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Metamitron-Baicalein","","- C25 H20 N4 O6 -","- C25 H20 N4 O6 -","- C100 H80 N16 O24 -","4","1","","Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang","Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron","Green Chemistry","2022","24","20","8088","8099","10.1039/D2GC02949A","","x-ray","0.71073","MoKα","","0.0789","0.0525","","","0.1221","0.1376","","","","","","1.026","","","","has coordinates,has disorder","278986","2022-11-07","05:25:56",""
"7245565","7.6126","0.0001","23.4046","0.0002","11.2824","0.0001","90","","103.859","0.001","90","","1951.66","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 I2 N O2 -","- C20 H17 I2 N O2 -","- C80 H68 I8 N4 O8 -","4","1","","Lu, Yuling; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Zhang, Yonghui","Highly efficient and fast synthesis of di-iodinated succinimide derivatives from 1,6-enyne and I2 under air at room temperature","Green Chemistry","2022","24","20","8021","8028","10.1039/D2GC02058K","","","1.54178","CuKα","","0.0433","0.0432","","","0.1279","0.128","","","","","","1.096","","","","has coordinates","278985","2022-11-07","05:25:34",""
"7245574","5.819","0.0002","9.8242","0.0004","20.3104","0.001","92.796","0.004","92.658","0.003","95.189","0.003","1153.44","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cl3 N2 O3 -","- C24 H23 Cl3 N2 O3 -","- C48 H46 Cl6 N4 O6 -","2","1","","Liang, Jiazhi; Huang, Jian; Yang, Qin; Fu, Yang; Ding, Qiuping; Peng, Yiyuan","Synthesis of dihydroindazolo[2,3-f]phenanthridin-5(6H)-ones via Rh(iii)-catalyzed C–H activation of 2-aryl indazoles and annulation with iodonium ylides","Green Chemistry","2022","24","21","8441","8446","10.1039/D2GC03020A","","","0.71073","MoKα","","0.0544","0.0428","","","0.1082","0.1154","","","","","","1.047","","","","has coordinates","278991","2022-11-07","05:26:38",""
"7245575","12.5652","0.0002","14.3595","0.0003","12.2203","0.0002","90","","100.202","0.001","90","","2170.05","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6a","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C96 H100 N12 O20 -","4","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","1.54178","CuKα","","0.0511","0.0421","","","0.1003","0.11","","","","","","1.028","","","","has coordinates","278987","2022-11-07","05:26:06",""
"7245576","10.1914","0.0011","10.379","0.0011","11.8123","0.0013","73.566","0.002","67.677","0.002","83.029","0.002","1108.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","7d","","- C25 H27 N3 O5 -","- C25 H27 N3 O5 -","- C50 H54 N6 O10 -","2","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","0.71073","MoKα","","0.0843","0.0502","","","0.117","0.1274","","","","","","0.914","","","","has coordinates,has disorder","278987","2022-11-07","05:26:07",""
"7245577","9.94","0.016","10.793","0.01","16.25","0.02","108.53","0.04","96.84","0.07","106.91","0.05","1538","4","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","7jdiast2","","- C31 H29 Cl3 F N3 O5 -","- C31 H29 Cl3 F N3 O5 -","- C62 H58 Cl6 F2 N6 O10 -","2","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","1.54184","CuKα","","0.115","0.0657","","","0.1647","0.216","","","","","","1.023","","","","has coordinates","278987","2022-11-07","05:26:07",""
"7245578","8.9559","0.0003","11.0368","0.0004","12.1951","0.0005","90.73","0.001","106.001","0.001","100.401","0.001","1137.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8m","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C50 H48 N4 O8 -","2","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","1.54178","CuKα","","0.0707","0.0605","","","0.1691","0.1716","","","","","","1.136","","","","has coordinates","278987","2022-11-07","05:26:07",""
"7245579","10.9497","0.0011","10.1546","0.0011","12.5474","0.0019","90","","111.425","0.008","90","","1298.7","0.3","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9n","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","1.54184","CuKα","","0.0506","0.0423","","","0.0995","0.1093","","","","","","1.065","","","","has coordinates","278987","2022-11-07","05:26:07",""
"7245608","9.8007","0.0008","19.457","0.0018","15.5025","0.0012","90","","99.565","0.007","90","","2915.1","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 F7 N4 O4 -","- C28 H27 F7 N4 O4 -","- C112 H108 F28 N16 O16 -","4","2","","Chen, Yu-Lan; Sun, Li-Wen; Chen, Jia-Wei; Zhu, Ming-Quan; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang","Four-component defluorinative reaction of allylic fluorides, amidines, and Cs2CO3 under transition-metal-free conditions","Green Chemistry","2022","24","18","6816","6822","10.1039/D2GC02045A","","x-ray","0.71073","MoKα","","0.1359","0.0926","","","0.2199","0.2673","","","","","","1.005","","","","has coordinates,has disorder","278366","2022-10-05","20:19:13",""
"7245620","8.9547","0.0002","8.4131","0.0001","16.386","0.0003","90","","99.853","0.002","90","","1216.26","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.0434","0.0398","","","0.1122","0.1169","","","","","","1.051","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245621","6.9208","0.0009","7.4115","0.0006","11.9359","0.0012","101.965","0.007","90.131","0.009","92.439","0.008","598.35","0.11","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 N2 O3 S -","- C13 H10 N2 O3 S -","- C26 H20 N4 O6 S2 -","2","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.1294","0.1261","","","0.3218","0.3232","","","","","","1.205","","","","has coordinates,has disorder","278993","2022-11-07","05:26:57",""
"7245622","7.9773","0.0004","8.6323","0.0004","8.8553","0.0004","92.357","0.004","103.812","0.004","111.69","0.004","544.55","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C22 H24 N4 O6 S2 -","2","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.044","0.0421","","","0.1115","0.1128","","","","","","1.058","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245623","8.0147","0.0002","8.1452","0.0002","9.4761","0.0002","94.6","0.002","107.839","0.002","107.022","0.002","553.18","0.03","295.12","0.1","295.12","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C22 H24 N4 O6 S2 -","2","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.0424","0.0414","","","0.1188","0.1203","","","","","","1.053","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245624","9.887","0.0002","7.8158","0.0002","18.9459","0.0004","90","","101.306","0.002","90","","1435.63","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C60 H56 N8 O12 S4 -","4","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.0606","0.056","","","0.1512","0.1601","","","","","","1.061","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245625","11.2705","0.0001","12.223","0.0002","20.2303","0.0002","90","","90","","90","","2786.91","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C120 H112 N16 O32 S8 -","8","2","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.034","0.0322","","","0.0879","0.0896","","","","","","1.044","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245630","8.6009","0.0012","21.017","0.003","11.5416","0.0015","90","","94.661","0.003","90","","2079.4","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H22 F3 N3 O2 -","- C22 H22 F3 N3 O2 -","- C88 H88 F12 N12 O8 -","4","1","","Xuan, Liangming; Du, Ruyang; Lei, Panpan; Zhao, Wei; Tan, Lixiang; Ni, Chuanzhi; Wang, Haifeng; Yan, Qiongjiao; Wang, Wei; Chen, Fener","Remote C(sp3)–H heteroarylation of N-fluorocarboxamides with quinoxalin-2(1H)-ones under visible-light-induced photocatalyst-free conditions","Green Chemistry","2022","24","24","9475","9481","10.1039/D2GC02874C","","","0.71073","MoKα","","0.091","0.052","","","0.106","0.1244","","","","","","1.061","","","","has coordinates","280174","2023-01-06","09:40:59",""
"7245730","17.601","0.002","11.3637","0.0015","24.466","0.003","90","","93.413","0.004","90","","4884.8","1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 N8 Ni O2 -","- C40 H36 N8 Ni O2 -","- C160 H144 N32 Ni4 O8 -","4","0.5","","Sekar, Pandiaraj; Vasanthakumar, Punitharaj; Shanmugam, Ramasamy; Senthil Kumar, Shanmugam; Agnoli, Stefano; Deepak, Rajasekharan Jayakumari; Murugan, Karthik; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Green synthesis of a redox-active riboflavin-integrated Ni-MOF and its versatile electrocatalytic applications towards oxygen evolution and reduction, and HMF oxidation reactions","Green Chemistry","2022","24","23","9233","9244","10.1039/D2GC02939A","","","0.71073","MoKα","","0.0985","0.0914","","","0.2182","0.2214","","","","","","1.052","","","","has coordinates","280177","2023-01-06","09:41:39",""
"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",""
"7245762","8.3612","0.0002","9.7442","0.0002","10.6475","0.0002","65.818","0.001","86.321","0.001","79.417","0.001","777.84","0.03","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 S -","- C19 H17 N3 S -","- C38 H34 N6 S2 -","2","1","","Li, Sifeng; Wang, Taimin; Li, Xingchen; Fang, Lijing; Zhai, Hongbin; Cheng, Bin","Switchable electrooxidative N-methyl amines: access to C3-aminomethylated and C3-arylmethylated imidazo[1,2-a] pyridines","Green Chemistry","2022","24","24","9482","9488","10.1039/D2GC03464F","","","1.54178","CuKα","","0.0503","0.0466","","","0.1197","0.1229","","","","","","1.099","","","","has coordinates,has disorder","280176","2023-01-06","09:41:17",""
"7245763","6.3317","0.0002","10.0072","0.0003","29.5714","0.0008","90","","92.36","0.002","90","","1872.13","0.1","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N3 -","- C22 H20 Br N3 -","- C88 H80 Br4 N12 -","4","1","","Li, Sifeng; Wang, Taimin; Li, Xingchen; Fang, Lijing; Zhai, Hongbin; Cheng, Bin","Switchable electrooxidative N-methyl amines: access to C3-aminomethylated and C3-arylmethylated imidazo[1,2-a] pyridines","Green Chemistry","2022","24","24","9482","9488","10.1039/D2GC03464F","","","1.54178","CuKα","","0.0543","0.0417","","","0.1057","0.1127","","","","","","1.044","","","","has coordinates","280176","2023-01-06","09:41:17",""
"7245764","8.365","0.004","10.655","0.005","10.809","0.005","115.055","0.014","99.78","0.014","98.016","0.015","835.6","0.7","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","1","","Li, Sifeng; Wang, Taimin; Li, Xingchen; Fang, Lijing; Zhai, Hongbin; Cheng, Bin","Switchable electrooxidative N-methyl amines: access to C3-aminomethylated and C3-arylmethylated imidazo[1,2-a] pyridines","Green Chemistry","2022","24","24","9482","9488","10.1039/D2GC03464F","","","0.71073","MoKα","","0.0676","0.047","","","0.1198","0.1352","","","","","","1.033","","","","has coordinates","280176","2023-01-06","09:41:17",""
"7245915","8.6271","0.0004","11.5365","0.0006","12.0186","0.0008","112.233","0.006","90.786","0.005","95.43","0.004","1100.68","0.12","292.8","0.2","292.8","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C46 H52 N4 O12 -","2","1","","Qian, Hang; Wang, Cui-Cui; Shen, Zi-Chen; Sun, Ming-Xue; Zhang, Hong-Chao; Fan, Shiming; Feng, Juan; Liu, Shouxin; Zhang, Zhi-Wei","Catalyst- and additive-free [3 + 3] cyclization–aromatization of β,γ-dioxobutanoate with amines for synthesis of p-aminophenols","Green Chemistry","2022","24","24","9690","9696","10.1039/D2GC03936B","","x-ray","1.54184","CuKα","","0.0843","0.0624","","","0.1739","0.1903","","","","","","1.057","","","","has coordinates","280175","2023-01-06","09:41:08",""
"8000258","4.8686","0.0004","15.1351","0.0013","19.0283","0.0018","94.372","0.005","93.841","0.006","93.639","0.005","1391.6","0.2","","","100","","","","","","","","","4","P -1","-P 1","2","N-Benzyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (1)","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","2","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0731","0.0483","","","0.1414","0.1818","","","","","","1.188","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000259","9.3005","0.0008","6.6121","0.0005","11.8267","0.001","90","","106.276","0.001","90","","698.14","0.1","","","120","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","N-Benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C32 H32 N8 O2 -","2","0.5","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","0.71073","MoKα","","0.0474","0.0453","","","0.1275","0.1306","","","","","","1.054","","","","has coordinates","204919","2020-10-21","18:00:00",""
"8000260","4.783","0.0003","25.5753","0.0015","11.9469","0.0007","90","","98.639","0.003","90","","1444.84","0.15","","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Benzyl-2,6-dimethyl-1H-indole-3-carboxamide","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0531","0.0415","","","0.1013","0.1083","","","","","","1.028","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000261","5.9164","0.0002","13.074","0.0003","18.5711","0.0005","109.499","0.001","93.229","0.002","94.402","0.002","1344.97","0.07","","","100","","","","","","","","","4","P -1","-P 1","2","N-Benzyl-6-methyl-2H-indazole-3-carboxamide","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","2","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0546","0.0402","","","0.0999","0.1084","","","","","","1.042","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000262","9.772","0.003","5.8461","0.0019","22.078","0.007","90","","91.411","0.006","90","","1260.9","0.7","","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-Benzyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C60 H56 N16 O4 -","4","1","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","0.71073","MoKα","","0.08","0.0603","","","0.1465","0.1588","","","","","","1.057","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000263","20.3189","0.0011","10.8268","0.0005","15.6023","0.0009","90","","129.107","0.003","90","","2663.4","0.3","","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide","","","- C15 H15 N5 O -","- C15 H15 N5 O -","- C120 H120 N40 O8 -","8","1","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0362","0.0356","","","0.0899","0.0904","","","","","","1.043","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000264","7.9379","0.0003","19.6844","0.0009","9.5568","0.0004","90","","100.934","0.002","90","","1466.17","0.11","","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Benzyl-3,7-dimethylimidazo[1,2-a]pyridine-2-carboxamide","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0461","0.0372","","","0.0922","0.0978","","","","","","1.033","","","","has coordinates","301880","2025-08-22","23:45:41",""
"9000017","6.02","","5.93","","6.02","","90","","67.87","","90","","199.074","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Gudmundite","- Fe S Sb -","- Fe S Sb -","- Fe4 S4 Sb4 -","4","1","","Buerger, M. J.","The crystal structure of gudmundite","American Mineralogist","1939","24","","183","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000018","10","","5.93","","6.73","","90","","90","","90","","399.089","","","","","","","","","","","","","3","B 1 21/d 1","-P 2ybc (x+1/2*z,y,1/2*z)","14","","","Gudmundite","- Fe S Sb -","- Fe S Sb -","- Fe8 S8 Sb8 -","8","","","Buerger, M. J.","The crystal structure of gudmundite","American Mineralogist","1939","24","","183","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000019","3.16","","3.16","","21.25","","90","","90","","120","","183.765","","","","","","","","","","","","","4","R 3 :H","R 3","146","","","Cronstedtite","- Fe1.4 H1.667 O4.001 Si0.5 -","- Fe1.4 H1.667 O4.001 Si0.5 -","- Fe4.2 H5.001 O12.003 Si1.5 -","3","0.333333","","Hendricks, S. B.","Random structures of layer minerals as illustrated by cronstedtite (2FeO.Fe2O3.SiO2.2H2O). Possible iron content of kaolin","American Mineralogist","1939","24","","529","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:32",""
"9000020","9.87","","9.87","","9.87","","90","","90","","90","","961.505","","","","","","","","","","","","Ivigtut, Greenland","6","F d -3 m :1","F 4d 2 3 -1d","227","","","Ralstonite","- Al1.624 F3.882 H2.993 Mg0.376 Na0.35 O2.993 -","- Al1.624 F3.882 Mg0.376 Na0.35 O2.993 -","- Al12.992 F31.056 Mg3.008 Na2.8 O23.944 -","8","0.0416667","","Pabst, A.","Formula and structure of ralstonite","American Mineralogist","1939","24","","566","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000021","5.32","","9.21","","10.16","","90","","100.03","","90","","490.203","","","","","","","","","","","","","7","C 1 m 1","C -2y","8","","","Phlogopite","- Al F H K Mg3 O11 Si3 -","- Al F H K Mg3 O11 Si3 -","- Al2 F2 H2 K2 Mg6 O22 Si6 -","2","0.5","","Hendricks, S. B.; Jefferson, M. E.","Polymorphism of the micas with optical measurements Note: Biotite group","American Mineralogist","1939","24","","729","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000022","5.32","","9.21","","20.08","","90","","95","","90","","980.12","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Phlogopite","- Al F H K Mg3 O11 Si3 -","- Al F H K Mg3 O11 Si3 -","- Al4 F4 H4 K4 Mg12 O44 Si12 -","4","0.5","","Hendricks, S. B.; Jefferson, M. E.","Polymorphism of the micas with optical measurements Note: data is reproduced from Jackson and West (1930) Note: Biotite group","American Mineralogist","1939","24","","729","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000023","5.3","","5.3","","30","","90","","90","","120","","729.8","","","","","","","","","","","","","7","P 31 1 2","P 31 2 (0 0 4)","151","","","Phlogopite","- Al F H K Mg3 O11 Si3 -","- Al F H K Mg3 O11 Si3 -","- Al3 F3 H3 K3 Mg9 O33 Si9 -","3","0.5","","Hendricks, S. B.; Jefferson, M. E.","Polymorphism of the micas with optical measurements Note: Biotite group","American Mineralogist","1939","24","","729","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:32",""
"9000024","9.2","","5.3","","60","","90","","90","","90","","2925.6","","","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","Lepidolite","- Al F H K Mg3 O11 Si3 -","- Al F H K Mg3 O11 Si3 -","- Al12 F12 H12 K12 Mg36 O132 Si36 -","12","3","","Hendricks, S. B.; Jefferson, M. E.","Polymorphism of the micas with optical measurements","American Mineralogist","1939","24","","729","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000025","5.3","","5.3","","60","","90","","90","","120","","1459.6","","","","","","","","","","","","","7","P -1","-P 1","2","","","Biotite","- Al F H K Mg3 O11 Si3 -","- Al F H K Mg3 O11 Si3 -","- Al6 F6 H6 K6 Mg18 O66 Si18 -","6","3","","Hendricks, S. B.; Jefferson, M. E.","Polymorphism of the micas with optical measurements","American Mineralogist","1939","24","","729","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9004185","14.357","","14.357","","5.908","","90","","90","","90","","1217.78","","","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","Mannardite","- Ba0.517 Cr0.508 H2 O8.483 Ti2.984 V0.508 -","- Ba0.517 Cr0.508 H0.966 O8.483 Ti2.984 V0.508 -","- Ba4.136 Cr4.064 H7.728 O67.864 Ti23.872 V4.064 -","8","0.5","","Szymanski, J. T.","The crystal structure of mannardite, a new hydrated cryptomelane-group (hollandite) mineral with a doubled short axis","The Canadian Mineralogist","1986","24","","67","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004186","28.44","","3.9","","17.55","","90","","106","","90","","1871.17","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Paderaite","- Ag Bi12 Cu5.9 Pb S22 -","- Ag Bi12 Cu5.9 Pb S22 -","- Ag2 Bi24 Cu11.8 Pb2 S44 -","2","0.5","","Mumme, W. G.","The crystal structure of paderaite, a mineral of the cuprobismutite series.","The Canadian Mineralogist","1986","24","","513","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004187","12.776","","12.488","","11.035","","90","","97.2","","90","","1746.71","","","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","Bobfergusonite","- Al1.38 Ca0.19 Fe0.84 Mg0.09 Mn4.28 Na2 O24 P6 Zn0.05 -","- Al1.38 Ca0.19 Fe0.84 Mg0.09 Mn4.28 Na2 O24 P6 Zn0.05 -","- Al5.52 Ca0.76 Fe3.36 Mg0.36 Mn17.12 Na8 O96 P24 Zn0.2 -","4","1","","Ercit, T. S.; Hawthorne, F. C.; Cerny, P.","The crystal structure of bobfergusonite.","The Canadian Mineralogist","1986","24","","605","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004188","5.329","","9.246","","14.442","","90","","97.1","","90","","706.129","","","","","","","","","","","","","7","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Chlorite","- Al1.2 Cr0.7 Fe0.1 H7.9 Mg5 O18 Si3 -","- Al1.2 Cr0.7 Fe0.1 H7.9 Mg5 O18 Si3 -","- Al2.4 Cr1.4 Fe0.2 H15.8 Mg10 O36 Si6 -","2","","","Bailey, S. W.","Re-evaluation of ordering and local charge-balance in Ia chlorite","The Canadian Mineralogist","1986","24","","649","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004189","9.089","","12.244","","8.926","","90","","90","","90","","993.336","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","Moydite-(Y)","- C H4 B O7 Sm0.1 Y0.9 -","- C H4 B O7 Sm0.1 Y0.9 -","- C8 H32 B8 O56 Sm0.8 Y7.2 -","8","1","","Grice, J. D.; Ercit, T. S.","The crystal structure of moydite","The Canadian Mineralogist","1986","24","","675","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9006390","4.7825","","10.304","","6.0041","","90","","90","","90","","295.875","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Olivine","- Co2 O4 Si -","- Co2 O4 Si -","- Co8 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M00","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006391","4.7814","","10.2924","","6.0007","","90","","90","","90","","295.307","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co1.75 Mg0.25 O4 Si -","- Co1.75 Mg0.25 O4 Si -","- Co7 Mg O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M13","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006392","4.7773","","10.28","","5.9971","","90","","90","","90","","294.521","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co1.5 Mg0.5 O4 Si -","- Co1.5 Mg0.5 O4 Si -","- Co6 Mg2 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M251","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006393","4.7754","","10.2672","","5.9942","","90","","90","","90","","293.896","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co1.249 Mg0.749 O4 Si -","- Co1.249 Mg0.749 O4 Si -","- Co4.996 Mg2.996 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M38","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006394","4.7713","","10.2533","","5.9911","","90","","90","","90","","293.094","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock R; Kirfel A","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M502","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9006395","4.7679","","10.24","","5.9884","","90","","90","","90","","292.373","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co0.75 Mg1.25 O4 Si -","- Co0.75 Mg1.25 O4 Si -","- Co3 Mg5 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M62","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006396","4.7633","","10.229","","5.9874","","90","","90","","90","","291.729","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co0.499 Mg1.499 O4 Si -","- Co0.499 Mg1.499 O4 Si -","- Co1.996 Mg5.996 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M75","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006397","4.7585","","10.2148","","5.9846","","90","","90","","90","","290.894","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co0.249 Mg1.749 O4 Si -","- Co0.249 Mg1.749 O4 Si -","- Co0.996 Mg6.996 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M87","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006398","4.7536","","10.2066","","5.9845","","90","","90","","90","","290.357","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Olivine","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: MR100","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006399","4.7717","","10.2542","","5.9914","","90","","90","","90","","293.159","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M501","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006401","4.7715","","10.2535","","5.9912","","90","","90","","90","","293.117","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M503","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006402","4.7713","","10.2536","","5.9915","","90","","90","","90","","293.122","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M504","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006403","4.7715","","10.2537","","5.9912","","90","","90","","90","","293.123","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: average","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006404","4.9438","","4.9438","","10.9498","","90","","90","","120","","231.771","","","","298.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 25 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006405","4.949","","4.949","","10.955","","90","","90","","120","","232.369","","","","365.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 92 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006406","4.958","","4.958","","10.967","","90","","90","","120","","233.47","","","","456.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 183 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006407","4.9688","","4.9688","","10.979","","90","","90","","120","","234.745","","","","548.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 275 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006408","4.9799","","4.9799","","10.992","","90","","90","","120","","236.074","","","","639.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 366 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006409","4.9939","","4.9939","","11.01","","90","","90","","120","","237.792","","","","731.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 458 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006410","5","","5","","11.016","","90","","90","","120","","238.503","","","","759.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 486 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006411","5.0017","","5.0017","","11.019","","90","","90","","120","","238.731","","","","796.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 523 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006412","5.017","","5.017","","11.038","","90","","90","","120","","240.608","","","","841.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 568 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006413","5.0387","","5.0387","","11.061","","90","","90","","120","","243.199","","","","858.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 585 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006414","5.04","","5.04","","11.063","","90","","90","","120","","243.369","","","","862.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 589 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006415","5.04","","5.04","","11.061","","90","","90","","120","","243.325","","","","871.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 598 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006416","5.0401","","5.0401","","11.063","","90","","90","","120","","243.378","","","","885.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 612 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006417","5.0402","","5.0402","","11.063","","90","","90","","120","","243.388","","","","904.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 631 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006418","5.135","","8.906","","19.384","","90","","94.6","","90","","883.62","","","","","","","","10","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H4 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H4 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al11.84 Ba0.04 Ca0.04 Fe0.04 H16 K0.4 Mg0.024 Mn0.008 Na3.52 O48 Si12.04 Ti0.028 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Pressure dependence of structural parameters of paragonite Sample: P = .0001 kbar Note: z-coordinate for T1 altered by author, Dec 2003","Physics and Chemistry of Minerals","1997","24","","274","280","10.1007/s002690050039","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9006419","5.134","","8.906","","19.32","","90","","94.5","","90","","880.653","","","","","","","","50000","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al11.84 Ba0.04 Ca0.04 Fe0.04 H8 K0.4 Mg0.024 Mn0.008 Na3.52 O48 Si12.04 Ti0.028 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Pressure dependence of structural parameters of paragonite Sample: P = 0.05 GPa","Physics and Chemistry of Minerals","1997","24","","274","280","10.1007/s002690050039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006420","5.082","","8.813","","18.91","","90","","94.7","","90","","844.087","","","","","","","","2540000","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al11.84 Ba0.04 Ca0.04 Fe0.04 H8 K0.4 Mg0.024 Mn0.008 Na3.52 O48 Si12.04 Ti0.028 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Pressure dependence of structural parameters of paragonite Sample: P = 2.54 GPa","Physics and Chemistry of Minerals","1997","24","","274","280","10.1007/s002690050039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006421","5.062","","8.769","","18.64","","90","","95.2","","90","","824","","","","","","","","4050000","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al11.84 Ba0.04 Ca0.04 Fe0.04 H8 K0.4 Mg0.024 Mn0.008 Na3.52 O48 Si12.04 Ti0.028 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Pressure dependence of structural parameters of paragonite Sample: P = 4.05 GPa","Physics and Chemistry of Minerals","1997","24","","274","280","10.1007/s002690050039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006422","18.417","","9.073","","5.239","","90","","90","","90","","875.423","","","","","","","","0","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006423","18.3988","","9.0444","","5.2245","","90","","90","","90","","869.389","","","","","","","","830000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = .83 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006424","18.37","","9.006","","5.2084","","90","","90","","90","","861.679","","","","","","","","1710000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.71 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006425","18.341","","8.966","","5.1925","","90","","90","","90","","853.883","","","","","","","","2840000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.84 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006426","18.311","","8.939","","5.181","","90","","90","","90","","848.037","","","","","","","","3650000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.65 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006427","18.2974","","8.904","","5.2092","","90","","90","","90","","848.683","","","","","","","","0","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006428","18.2351","","8.8492","","5.1839","","90","","90","","90","","836.505","","","","","","","","1540000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.54 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006429","18.197","","8.82","","5.171","","90","","90","","90","","829.933","","","","","","","","2500000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.50 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006430","18.174","","8.7953","","5.1608","","90","","90","","90","","824.932","","","","","","","","3170000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.17 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006431","18.1418","","8.7682","","5.1495","","90","","90","","90","","819.136","","","","","","","","4140000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.14 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006432","18.124","","8.754","","5.144","","90","","90","","90","","816.134","","","","","","","","4760000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.76 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006433","18.0912","","8.724","","5.1315","","90","","90","","90","","809.892","","","","","","","","5770000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 5.77 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006434","18.0665","","8.706","","5.1236","","90","","90","","90","","805.875","","","","","","","","6590000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.59 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006435","18.035","","8.682","","5.1138","","90","","90","","90","","800.718","","","","","","","","7500000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 7.50 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006436","18.231","","8.8095","","5.1873","","90","","90","","90","","833.111","","","","","","","","0","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006437","18.189","","8.7765","","5.1723","","90","","90","","90","","825.684","","","","","","","","1040000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.04 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006438","18.16","","8.7503","","5.1606","","90","","90","","90","","820.047","","","","","","","","1900000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.90 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006439","18.115","","8.7184","","5.1472","","90","","90","","90","","812.917","","","","","","","","3000000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.00 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006440","18.077","","8.6907","","5.1349","","90","","90","","90","","806.702","","","","","","","","4030000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.03 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006441","18.051","","8.6683","","5.1244","","90","","90","","90","","801.822","","","","","","","","4930000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.93 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006442","18","","8.642","","5.115","","90","","90","","90","","795.669","","","","","","","","6010000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.01 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006443","18.502","","18.974","","6.525","","90","","90.615","","90","","2290.51","","","","","","","","","","","","","5","F 1 d 1","","","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al16 Ca8 H48 O104 Si24 -","8","","","Stuckenschmidt, E.; Joswig, W.; Baur, W. H.; Hofmeister, W.","Scolecite, Part I: Refinement of high-order data, separation of internal and external vibrational amplitudes from displacement parameters","Physics and Chemistry of Minerals","1997","24","","403","410","10.1007/s002690050054","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006444","13.633","","13.633","","5.913","","90","","90","","120","","951.747","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Mixite","- As3 Bi Cu6 H60 O21 -","- As3 Bi Cu6 H11.9999 O21 -","- As6 Bi2 Cu12 H23.9999 O41.9999 -","2","0.166667","","Miletich, R.; Zemann, J.; Nowak, M.","Reversible hydration in synthetic mixite, BiCu6(OH)6(AsO4)3.nH2O(n<=3): hydration kinetics and crystal chemistry Sample: H20","Physics and Chemistry of Minerals","1997","24","","411","422","10.1007/s002690050055","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9006445","13.631","","13.631","","5.905","","90","","90","","120","","950.18","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Mixite","- As3 Bi Cu6 H36 O19 -","- As3 Bi Cu6 H7.99998 O19 -","- As6 Bi2 Cu12 H16 O38 -","2","0.166667","","Miletich, R.; Zemann, J.; Nowak, M.","Reversible hydration in synthetic mixite, BiCu6(OH)6(AsO4)3.nH2O(n<=3): hydration kinetics and crystal chemistry Sample: N2","Physics and Chemistry of Minerals","1997","24","","411","422","10.1007/s002690050055","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9006446","5.3348","","5.3348","","7.7057","","90","","90","","120","","189.924","","","","","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","Cymrite-K","- Al H2 K O9 Si3 -","- Al H2 K O9 Si3 -","- Al H2 K O9 Si3 -","1","0.0416667","","Fasshauer, D. W.; Chatterjee, N. D.; Marler, B.","Synthesis, structure, thermodynamic properties, and stability relations of K-cymrite, K[AlSi3O8].H2O","Physics and Chemistry of Minerals","1997","24","","455","462","10.1007/s002690050060","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006447","18.221","","8.89","","5.226","","90","","90","","90","","846.532","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Cu0.564 Mg1.436 O6 Si2 -","- Cu0.564 Mg1.436 O6 Si2 -","- Cu4.512 Mg11.488 O48 Si16 -","8","1","","Tachi, T.; Horiuchi, H.; Nagasawa, H.","Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6, and behavior of Cu2+ in the orthopyroxene structure","Physics and Chemistry of Minerals","1997","24","","463","476","10.1007/s002690050061","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006448","7.8338","","7.8338","","5.0082","","90","","90","","90","","307.345","","","","","","","","0","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006449","7.8154","","7.8154","","4.9919","","90","","90","","90","","304.908","","","","","","","","800000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 0.80 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006450","7.8071","","7.8071","","4.9821","","90","","90","","90","","303.663","","","","","","","","1250000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.25 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006451","7.8046","","7.8046","","4.9772","","90","","90","","90","","303.17","","","","","","","","1370000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.37 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006452","7.7937","","7.7937","","4.9696","","90","","90","","90","","301.862","","","","","","","","1800000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.80 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006453","7.7677","","7.7677","","4.9495","","90","","90","","90","","298.639","","","","","","","","2780000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 2.78 GPa Note: O2-z changed to match reported bond lengths","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006454","7.7494","","7.7494","","4.9328","","90","","90","","90","","296.23","","","","","","","","3790000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 3.79 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006455","7.41","","7.41","","7.41","","90","","90","","90","","406.869","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","Perovskite","- Ca2 O6 Si Ti -","- Ca2 O6 Si Ti -","- Ca8 O24 Si4 Ti4 -","4","0.0208333","","Leinenweber, K.; Grzechnik, A.; Voorhees, M.; Navrotsky, A.; Yao, A.; McMillan, P. F.","Structural variations in Ca(TixSi1-x)O3 perovskites (1>x>0.65) and the ordered phase Ca2TiSiO6","Physics and Chemistry of Minerals","1997","24","","528","534","10.1007/s002690050068","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006456","4.211","","4.211","","4.211","","90","","90","","90","","74.672","","","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 298 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006457","4.2181","","4.2181","","4.2181","","90","","90","","90","","75.05","","","","455","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 455 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006458","4.2318","","4.2318","","4.2318","","90","","90","","90","","75.784","","","","710","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 710 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006459","4.2483","","4.2483","","4.2483","","90","","90","","90","","76.674","","","","905","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 905 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006460","4.2576","","4.2576","","4.2576","","90","","90","","90","","77.178","","","","1096","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1096 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006461","4.2665","","4.2665","","4.2665","","90","","90","","90","","77.663","","","","1205","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1205 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006462","4.2703","","4.2703","","4.2703","","90","","90","","90","","77.871","","","","1305","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1305 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006463","4.2736","","4.2736","","4.2736","","90","","90","","90","","78.052","","","","1365","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1365 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006464","4.282","","4.282","","4.282","","90","","90","","90","","78.513","","","","1527","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1527 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006465","4.2924","","4.2924","","4.2924","","90","","90","","90","","79.086","","","","1598","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1598 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006466","4.2993","","4.2993","","4.2993","","90","","90","","90","","79.468","","","","1685","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1685 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006467","4.3089","","4.3089","","4.3089","","90","","90","","90","","80.002","","","","1870","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1870 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006468","4.3141","","4.3141","","4.3141","","90","","90","","90","","80.292","","","","1915","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1915 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006469","4.3272","","4.3272","","4.3272","","90","","90","","90","","81.025","","","","2055","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2055 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006470","4.3305","","4.3305","","4.3305","","90","","90","","90","","81.211","","","","2106","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2106 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006471","4.3425","","4.3425","","4.3425","","90","","90","","90","","81.888","","","","2245","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2245 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006472","4.3481","","4.3481","","4.3481","","90","","90","","90","","82.205","","","","2297","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2297 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006473","4.3554","","4.3554","","4.3554","","90","","90","","90","","82.62","","","","2395","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2395 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006474","4.3564","","4.3564","","4.3564","","90","","90","","90","","82.677","","","","2408","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2408 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006475","4.3741","","4.3741","","4.3741","","90","","90","","90","","83.689","","","","2592","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2592 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006476","4.3842","","4.3842","","4.3842","","90","","90","","90","","84.27","","","","2703","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2703 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006477","4.3915","","4.3915","","4.3915","","90","","90","","90","","84.691","","","","2785","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2785 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006478","4.3971","","4.3971","","4.3971","","90","","90","","90","","85.016","","","","2848","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2848 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006479","4.4041","","4.4041","","4.4041","","90","","90","","90","","85.422","","","","2912","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2912 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006480","4.4112","","4.4112","","4.4112","","90","","90","","90","","85.836","","","","2986","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2986 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006481","4.4195","","4.4195","","4.4195","","90","","90","","90","","86.322","","","","3031","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3031 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006482","4.4424","","4.4424","","4.4424","","90","","90","","90","","87.67","","","","3065","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3065 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006483","4.4453","","4.4453","","4.4453","","90","","90","","90","","87.842","","","","3086","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3086 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006484","4.4403","","4.4403","","4.4403","","90","","90","","90","","87.546","","","","3040","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3040 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006485","4.4166","","4.4166","","4.4166","","90","","90","","90","","86.152","","","","3015","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3015 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006486","3.1648","","3.1648","","3.1648","","90","","90","","90","","31.699","","","","298","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 298 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006487","3.1672","","3.1672","","3.1672","","90","","90","","90","","31.771","","","","455","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 455 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006488","3.1731","","3.1731","","3.1731","","90","","90","","90","","31.949","","","","905","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 905 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006489","3.1738","","3.1738","","3.1738","","90","","90","","90","","31.97","","","","918","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 918 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006490","3.1775","","3.1775","","3.1775","","90","","90","","90","","32.082","","","","1205","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1205 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006491","3.1804","","3.1804","","3.1804","","90","","90","","90","","32.17","","","","1363","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1363 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006492","3.1822","","3.1822","","3.1822","","90","","90","","90","","32.224","","","","1410","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1410 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006493","3.1837","","3.1837","","3.1837","","90","","90","","90","","32.27","","","","1527","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1527 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006494","3.1824","","3.1824","","3.1824","","90","","90","","90","","32.23","","","","1537","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1537 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006495","3.1866","","3.1866","","3.1866","","90","","90","","90","","32.358","","","","1685","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1685 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006496","3.1913","","3.1913","","3.1913","","90","","90","","90","","32.501","","","","1846","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1846 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006497","3.1908","","3.1908","","3.1908","","90","","90","","90","","32.486","","","","1870","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1870 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006498","3.1926","","3.1926","","3.1926","","90","","90","","90","","32.541","","","","2032","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2032 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006499","3.1946","","3.1946","","3.1946","","90","","90","","90","","32.602","","","","2171","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2171 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006500","3.1979","","3.1979","","3.1979","","90","","90","","90","","32.704","","","","2310","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2310 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006501","3.2026","","3.2026","","3.2026","","90","","90","","90","","32.848","","","","2450","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2450 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006502","3.2079","","3.2079","","3.2079","","90","","90","","90","","33.011","","","","2620","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2620 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006503","3.2094","","3.2094","","3.2094","","90","","90","","90","","33.058","","","","2720","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2720 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006504","3.2116","","3.2116","","3.2116","","90","","90","","90","","33.126","","","","2774","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2774 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006505","3.2134","","3.2134","","3.2134","","90","","90","","90","","33.181","","","","2830","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2830 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006506","3.2165","","3.2165","","3.2165","","90","","90","","90","","33.277","","","","2929","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2929 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006507","3.2219","","3.2219","","3.2219","","90","","90","","90","","33.445","","","","3130","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3130 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006508","3.2238","","3.2238","","3.2238","","90","","90","","90","","33.505","","","","3190","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3190 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006509","3.2275","","3.2275","","3.2275","","90","","90","","90","","33.62","","","","3316","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3316 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006510","3.2332","","3.2332","","3.2332","","90","","90","","90","","33.799","","","","3470","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3470 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006511","3.2358","","3.2358","","3.2358","","90","","90","","90","","33.88","","","","3548","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3548 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006512","3.23","","3.23","","3.23","","90","","90","","90","","33.698","","","","3430","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3430 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006513","3.2248","","3.2248","","3.2248","","90","","90","","90","","33.536","","","","3220","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3220 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006514","3.2166","","3.2166","","3.2166","","90","","90","","90","","33.281","","","","2986","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2986 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006515","3.2131","","3.2131","","3.2131","","90","","90","","90","","33.172","","","","2785","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2785 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006516","3.2099","","3.2099","","3.2099","","90","","90","","90","","33.073","","","","2650","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2650 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006517","3.2087","","3.2087","","3.2087","","90","","90","","90","","33.036","","","","2592","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2592 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006518","3.2015","","3.2015","","3.2015","","90","","90","","90","","32.814","","","","2395","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2395 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006519","3.1979","","3.1979","","3.1979","","90","","90","","90","","32.704","","","","2245","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2245 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006520","3.1946","","3.1946","","3.1946","","90","","90","","90","","32.602","","","","2055","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2055 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006521","9.9736","","9.9736","","9.9736","","90","","90","","90","","992.101","","","","","","","","0","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Kalininite","- Cr2 S4 Zn -","- Cr2 S4 Zn -","- Cr16 S32 Zn8 -","8","0.0416667","","Wittlinger, J.; Werner, S.; Schulz, H.","On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 0 GPa","Physics and Chemistry of Minerals","1997","24","","597","600","10.1007/s002690050077","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006522","9.9306","","9.9306","","9.9306","","90","","90","","90","","979.324","","","","","","","","1060000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Kalininite","- Cr2 S4 Zn -","- Cr2 S4 Zn -","- Cr16 S32 Zn8 -","8","0.0416667","","Wittlinger, J.; Werner, S.; Schulz, H.","On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 1.06 GPa","Physics and Chemistry of Minerals","1997","24","","597","600","10.1007/s002690050077","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006523","9.8415","","9.8415","","9.8415","","90","","90","","90","","953.2","","","","","","","","4200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Kalininite","- Cr2 S4 Zn -","- Cr2 S4 Zn -","- Cr16 S32 Zn8 -","8","0.0416667","","Wittlinger, J.; Werner, S.; Schulz, H.","On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 4.2 GPa","Physics and Chemistry of Minerals","1997","24","","597","600","10.1007/s002690050077","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006524","9.7738","","9.7738","","9.7738","","90","","90","","90","","933.663","","","","","","","","7190000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Kalininite","- Cr2 S4 Zn -","- Cr2 S4 Zn -","- Cr16 S32 Zn8 -","8","0.0416667","","Wittlinger, J.; Werner, S.; Schulz, H.","On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 7.19 GPa","Physics and Chemistry of Minerals","1997","24","","597","600","10.1007/s002690050077","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007500","12","","6.26","","17.08","","90","","110","","90","","1205.67","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Xanthoconite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag24 As8 S24 -","8","1","","Engel, P.; Nowacki, W.","Die kristallstruktur von Ag3AsS3","Acta Crystallographica, Section B","1968","24","","77","81","10.1107/S056774086800172X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007501","5.592","","13.029","","7.341","","90","","97.05","","90","","530.808","","","","","","","","","","","","Synthetic","4","C 1 c 1","C -2yc","9","","","Bonattite","- Cu H6 O7 S -","- Cu H6 O7 S -","- Cu4 H24 O28 S4 -","4","1","","Zahrobsky, R. F.; Baur, W. H.","On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic","Acta Crystallographica, Section B","1968","24","","508","513","10.1107/S0567740868002748","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007502","10.526","","17.872","","7.136","","90","","100.13","","90","","1321.5","","","","","","","","","","","","Rammelsberg mine near Goslar, Germany","7","P 1 21/n 1","-P 2yn","14","","","Zincobotryogen","- Fe1.08 H15 Mg0.2 Mn0.25 O16 S2 Zn0.47 -","- Fe1.08 H15 Mg0.2 Mn0.25 O16 S2 Zn0.47 -","- Fe4.32 H60 Mg0.8 Mn O64 S8 Zn1.88 -","4","1","","Susse, P.","Die kristallstruktur des botryogens","Acta Crystallographica, Section B","1968","24","","760","767","10.1107/S0567740868003171","","","","","","","","","","","","","","","","","","","","","has coordinates","303148","2025-11-02","03:27:21",""
"9007503","8.7126","","5.8108","","18.5214","","90","","90","","90","","937.686","","","","","","","","","","","","","11","P n m m :2","-P 2c 2bc","59","","","Ardennite","- Al4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H4 Mg Mn3.53 O28 Si5 V0.095 -","- Al4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H6 Mg Mn3.53 O28 Si5 V0.095 -","- Al8.6 As1.81 Ca0.94 Cu0.12 Fe0.4 H12 Mg2 Mn7.06 O56 Si10 V0.19 -","2","0.25","","Donnay G; Allmann R","Si3O10 groups in the crystal structure of ardennite","Acta Crystallographica, Section B","1968","24","","845","855","10.1107/S0567740868003274","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007504","7.6","","13.29","","8.24","","90","","109.6","","90","","784.049","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As2 H8 O9 -","- As2 H8 O9 -","- As8 H32 O36 -","4","1","","Worzala, H.","Die kristallstruktur des arsensaurehydrates 2H3AsO4.H2O","Acta Crystallographica, Section B","1968","24","","987","991","10.1107/S0567740868003602","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9007505","22.186","","6.25","","21.853","","90","","113.36","","90","","2781.81","","","","","","","","","","","","Laurion mine, Greece","6","C 1 2/c 1","-C 2yc","15","","","Serpierite","- Ca Cu2.64 H12 O17 S2 Zn1.36 -","- Ca Cu2.64 H12 O17 S2 Zn1.36 -","- Ca8 Cu21.12 H96 O136 S16 Zn10.88 -","8","1","","Sabelli, C.; Zanazzi, P. F.","The crystal structure of serpierite","Acta Crystallographica, Section B","1968","24","","1214","1221","10.1107/S0567740868004000","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007506","10.335","","10.978","","5.76","","90","","90","","90","","653.516","","","","","","","","","","","","Fort Dauphin, Madagascar","6","P b n m","-P 2c 2ab","62","","","Grandidierite","- Al3 B Fe0.1 Mg0.9 O9 Si -","- Al3 B Fe0.1 Mg0.9 O9 Si -","- Al12 B4 Fe0.4 Mg3.6 O36 Si4 -","4","0.5","","Stephenson, D. A.; Moore, P. B.","The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9","Acta Crystallographica, Section B","1968","24","","1518","1522","10.1107/S0567740868004577","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007507","6.8368","","6.2619","","6.7916","","90","","90","","90","","290.758","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Ferruccite","- B F4 Na -","- B F4 Na -","- B4 F16 Na4 -","4","0.25","","Brunton, G.","Refinement of the structure of NaBF4","Acta Crystallographica, Section B","1968","24","","1703","1704","10.1107/S0567740868004905","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009589","5.209","","9.053","","20.185","","90","","99.125","","90","","939.819","","","","","","","","","","","","Biskupice, Moravia, Czech Republic","14","C 1 2/c 1","-C 2yc","15","","","Polylithionite","- Al1.59 Ca0.01 Cs0.02 F1.515 Fe0.024 H0.585 K0.775 Li1.61 Mg0.066 Mn0.05 Na0.035 O10.485 Rb0.06 Si3.58 -","- Al1.59 Ca0.01 Cs0.02 F1.515 Fe0.024 H0.585 K0.775 Li1.61 Mg0.066 Mn0.05 Na0.035 O10.485 Rb0.06 Si3.58 -","- Al6.36 Ca0.04 Cs0.08 F6.06 Fe0.096 H2.34 K3.1 Li6.44 Mg0.264 Mn0.2 Na0.14 O41.94 Rb0.24 Si14.32 -","4","0.5","","Sartori, F.","The crystal structure of a 2M_1 lepidolite Note: This sample is about halfway along the trilithionite-polylithionite join Locality: Biskupice, Moravia, Czech Republic Note: Lepidolite series","Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","","23","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9009590","15.921","","11.965","","6.741","","91.07","","94.35","","89.99","","1280.2","","","","","","","","","","","","","9","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Roscherite","- Al0.13 Be4 Ca2.04 Fe0.42 H14.8 Mg0.04 Mn4.04 O34 P6 -","- Al0.13 Be4 Ca2.04 Fe0.42 H16 Mg0.04 Mn4.04 O34 P6 -","- Al0.26 Be8 Ca4.08 Fe0.84 H32 Mg0.08 Mn8.08 O68 P12 -","2","","","Fanfani L; Zanazzi P F; Zanzari A R","The crystal structure of a triclinic roscherite Note: B(3,3) changed from .00848 to .00488 to match reported Biso Locality: Foote Mine, North Carolina, USA","Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","","169","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:26",""
"9009591","4.83","","4.83","","16.167","","90","","90","","120","","326.629","","","","","","","","","","","","Erzberg, Etage Dreikonig, Styria, Austria","6","R -3 :H","-R 3","148","","","Ankerite","- C2 Ca1.05 Fe0.63 Mg0.27 Mn0.05 O6 -","- C2 Ca1.05 Fe0.63 Mg0.27 Mn0.05 O6 -","- C6 Ca3.15 Fe1.89 Mg0.81 Mn0.15 O18 -","3","0.166667","","Beran, A.; Zemann, J.","Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite","TMPM, Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","4","279","286","10.1007/BF01081130","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009593","6.634","","9.597","","7.428","","90","","90","","90","","472.915","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Teineite","- Cu H4 O5 Te -","- Cu H4 O5 Te -","- Cu4 H16 O20 Te4 -","4","1","","Effenberger, H.","Verfeinerung der kristallstruktur von synthetischem teineit CuTeO3*2(H2O) Note: Synthetic sample.","Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","","287","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009862","3.516","","3.516","","3.516","","90","","90","","90","","43.466","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Nickel","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Lundqvist, D.","X-ray studies on the binary system Ni-S","Arkiv for Mineralogi och Geologi","1947","24","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009863","9.457","","9.457","","9.457","","90","","90","","90","","845.785","","","","","","","","","","","","Synthetic","2","F d -3 m :1","F 4d 2 3 -1d","227","","","Polydymite","- Ni3 S4 -","- Ni3 S4 -","- Ni24 S32 -","8","0.0416667","","Lundqvist, D.","X-ray studies on the binary system Ni-S Note: spinel structure","Arkiv for Mineralogi och Geologi","1947","24","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011080","8.949","","8.949","","8.949","","90","","90","","90","","716.677","","","","","","","","","","","","Synthetic","3","I 21 3","I 2b 2c 3","199","","","Corderoite","- Cl2 Hg3 S2 -","- Cl2 Hg3 S2 -","- Cl8 Hg12 S8 -","4","0.166667","","Frueh, A. J.; Gray, N.","Confirmation and refinement of the structure of Hg3S2Cl2","Acta Crystallographica, Section B","1968","24","","156","157","10.1107/S0567740868001858","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011083","11.827","","11.827","","11.895","","90","","90","","120","","1440.94","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Chloraluminite","- Al Cl3 H12 O6 -","- Al Cl3 H12 O6 -","- Al6 Cl18 H72 O36 -","6","0.166667","","Buchanan, D. R.; Harris, P. M.","A neutron and X-ray diffraction investigation of aluminium chloride hexahydrate Locality: synthetic Sample: single crystal X-ray diffraction data","Acta Crystallographica, Section B","1968","24","","954","960","10.1107/S056774086800347X","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"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",""
"9011086","4.664","","16.82","","9.081","","90","","90","","90","","712.391","","","","","","","","","","","","","3","A 2 m m","A -2 2","35","","","Kenhsuite","- Cl Hg1.5 S -","- Cl Hg1.5 S -","- Cl8 Hg12 S8 -","8","1","","Durovic, S.","The crystal structure of gamma-Hg3S2Cl2 Sample: one-layer structure used for interatomic functions","Acta Crystallographica, Section B","1968","24","","1661","1670","10.1107/S0567740868004814","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011088","9.328","","8.41","","4.5405","","90","","90","","90","","356.195","","","","","","","","","","","","","3","P b m m","-P 2 2b","51","","","Kenhsuite","- Cl Hg1.5 S -","- Cl Hg1.5 S -","- Cl4 Hg6 S4 -","4","0.5","","Durovic, S.","The crystal structure of gamma-Hg3S2Cl2 Sample: superposition structure","Acta Crystallographica, Section B","1968","24","","1661","1670","10.1107/S0567740868004814","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011782","3.89","","3.89","","7.37","","90","","90","","90","","111.524","","","","","","","","","","","","Synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","Bismoclite","- Bi Cl O -","- Bi Cl O -","- Bi2 Cl2 O2 -","2","0.125","","Bannister, F. A.","The crystal-structure of the bismuth oxyhalides","Mineralogical Magazine","1935","24","","49","58","10.1180/minmag.1935.024.149.01","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011783","3.92","","3.92","","8.11","","90","","90","","90","","124.622","","","","","","","","","","","","Synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Bi Br O -","- Bi Br O -","- Bi2 Br2 O2 -","2","0.125","","Bannister, F. A.","The crystal-structure of the bismuth oxyhalides","Mineralogical Magazine","1935","24","","49","58","10.1180/minmag.1935.024.149.01","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011784","4.01","","4.01","","9.14","","90","","90","","90","","146.972","","","","","","","","","","","","Synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Bi I O -","- Bi I O -","- Bi2 I2 O2 -","2","0.125","","Bannister, F. A.","The crystal-structure of the bismuth oxyhalides","Mineralogical Magazine","1935","24","","49","58","10.1180/minmag.1935.024.149.01","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011785","4.18","","4.18","","7.59","","90","","90","","90","","132.616","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","PbFBr","- Br F Pb -","- Br F Pb -","- Br2 F2 Pb2 -","2","0.125","","Bannister, F. A.","The crystal-structure of the bismuth oxyhalides Locality: synthetic","Mineralogical Magazine","1935","24","","49","58","10.1180/minmag.1935.024.149.01","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011874","10.465","","10.465","","10.465","","90","","90","","90","","1146.09","","","","","","","","","","","","Khibiny massif, Kola peninsula, Russia","6","P m -3 m","-P 4 2 3","221","","","Djerfisherite","- Cl Cu6 Fe18 K6 Na S26 -","- Cl Cu6 Fe18 K6 Na S26 -","- Cl Cu6 Fe18 K6 Na S26 -","1","0.0208333","","Dmitrieva, M. T.; Ilyukhin, V. V.; Bokii, G. B.","Close packing and cation arrangement in the djerfisherite structure","Soviet Physics Crystallography","1979","24","","683","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011875","23.241","","7.238","","6.955","","90","","90","","90","","1169.96","","","","","","","","","","","","central natrolite region, Yubileinaya pegmatoid vein, Lovozero massif","6","C m m m","-C 2 2","65","","","Zorite","- H36 Na3 Nb0.2 O24.75 Si6 Ti2.3 -","- H10.5 Na3 Nb0.2 O24.75 Si6 Ti2.3 -","- H21 Na6 Nb0.4 O49.5 Si12 Ti4.6 -","2","0.125","","Sandomirskii, P. A.; Belov, N. V.","The OD structure of zorite Locality: central natrolite region, Yubileinaya pegmatoid vein, Lovozero massif","Soviet Physics Crystallography","1979","24","","686","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011898","7.62","","18.54999","","15.51","","90","","104.3","","90","","2124.42","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Rustumite","- Ca10 Cl2 H2 O20 Si5 -","- Ca10 Cl2 H2 O20 Si5 -","- Ca40 Cl8 H8 O80 Si20 -","4","0.5","","Nevskii, N. N.; Ilyukhin, V. V.; Khaui, R. A.; Belov, N. V.","The crystal structure of rustumite","Soviet Physics Doklady","1979","24","","812","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011962","4.386","","4.386","","30.497","","90","","90","","120","","508.072","","","","","","","","","","","","Synthetic","2","R -3 m :H","-R 3 2""","166","","","Tellurobismuthite","- Bi2 Te3 -","- Bi2 Te3 -","- Bi6 Te9 -","3","0.0833333","","Nakajima, S.","The crystal structure of Bi2Te3-xSex","Journal of Physics and Chemistry of Solids","1963","24","","479","485","10.1016/0022-3697(63)90207-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011963","4.298","","4.298","","29.774","","90","","90","","120","","476.322","","","","","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Kawazulite","- Bi2 Se Te2 -","- Bi2 Se0.99999 Te2.00001 -","- Bi6 Se2.99997 Te6.00003 -","3","0.0833333","","Nakajima, S.","The crystal structure of Bi2Te3-xSex","Journal of Physics and Chemistry of Solids","1963","24","","479","485","10.1016/0022-3697(63)90207-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011964","4.218","","4.218","","29.24","","90","","90","","120","","450.527","","","","","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Skippenite","- Bi2 Se2 Te -","- Bi2 Se2 Te -","- Bi6 Se6 Te3 -","3","0.0833333","","Nakajima, S.","The crystal structure of Bi2Te3-xSex","Journal of Physics and Chemistry of Solids","1963","24","","479","485","10.1016/0022-3697(63)90207-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011965","4.143","","4.143","","28.636","","90","","90","","120","","425.67","","","","","","","","","","","","Synthetic","2","R -3 m :H","-R 3 2""","166","","","Paraguanajuatite","- Bi2 Se3 -","- Bi2 Se3 -","- Bi6 Se9 -","3","0.0833333","","Nakajima, S.","The crystal structure of Bi2Te3-xSex","Journal of Physics and Chemistry of Solids","1963","24","","479","485","10.1016/0022-3697(63)90207-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012546","5.8486","","8.1661","","7.5097","","90","","113","","90","","330.153","","","","","","","","","","","","Synthetic","2","P 1 21/c 1","-P 2ybc","14","","","Bismite","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","1","","Malmros, G.","The crystal structure of alpha-Bi2O3","Acta Chemica Scandinavica","1970","24","","384","396","10.3891/acta.chem.scand.24-0384","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012815","10.602","","9.841","","22.621","","90","","90","","90","","2360.15","","","","","","","","","","","","amphibole-quartz-albite dike cutting serpentinite in Ohmi, Nigata Prefecture, Japan","7","P 21 a m","P -2 2a","26","","","Strontio-orthojoaquinite","- Ba4 Fe H4 Na O28 Si8 Ti2 -","- Ba4 Fe H4 Na O28 Si8 Ti2 -","- Ba16 Fe4 H16 Na4 O112 Si32 Ti8 -","4","1","","Kato, T.; Mizota, T.","The crystal structure of strontio-orthojoaquinite Locality: amphibole-quartz-albite dike cutting serpentinite in Ohmi, Nigata Prefecture, Japan","Journal of the Faculty of Liberal Arts. Yamaguchi University (Natural Science)","1990","24","","23","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014009","15.9537","","15.9537","","7.1448","","90","","90","","120","","1574.87","","","","","","","","","","","","Konigsalm, Moldanubian nappes, Lower Austria","13","R 3 m :H","R 3 -2""","160","","","Foitite","- Al6.873 B3 F0.05 Fe1.188 H5.85 Li0.021 Mg0.819 Mn0.081 Na0.37 O30.95 Si5.958 Ti0.009 Zn0.009 -","- Al6.873 B3 F0.05 Fe1.188 H5.85 Li0.021 Mg0.819 Mn0.081 Na0.37 O30.95 Si5.958 Ti0.009 Zn0.009 -","- Al20.619 B9 F0.15 Fe3.564 H17.55 Li0.063 Mg2.457 Mn0.243 Na1.11 O92.85 Si17.874 Ti0.027 Zn0.027 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK3","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014016","4.9113","","4.9113","","5.6099","","90","","90","","120","","117.187","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 1.69 GPa T = 293 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014019","3.00896","","3.00896","","3.00896","","90","","90","","90","","27.243","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","1","0.0208333","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014108","8.1462","","8.1462","","8.1462","","90","","90","","90","","540.587","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.39 Mg1.001 O4 -","- Al1.609 Fe0.39 Mg1.001 O4 -","- Al12.872 Fe3.12 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 45 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014114","8.1699","","8.1699","","8.1699","","90","","90","","90","","545.318","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.539 Mg O4 -","- Al1.461 Fe0.539 Mg O4 -","- Al11.688 Fe4.312 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014140","4.9097","","4.9097","","5.6249","","90","","90","","120","","117.424","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 2.9 GPa T = 493 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014165","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014226","8.171","","8.171","","8.171","","90","","90","","90","","545.539","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014254","8.1469","","8.1469","","8.1469","","90","","90","","90","","540.726","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg1.002 O4 -","- Al1.609 Fe0.389 Mg1.002 O4 -","- Al12.872 Fe3.112 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014264","4.8546","","4.8546","","5.5943","","90","","90","","120","","114.178","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 3.55 GPa T = 293 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014291","8.148","","8.148","","8.148","","90","","90","","90","","540.945","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.388 Mg O4 -","- Al1.61 Fe0.388 Mg O4 -","- Al12.88 Fe3.104 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014315","7.341","","7.341","","5.26996","","90","","90","","120","","245.951","","","","","","","","","","","","Synthetic","2","P -3","-P 3","147","","","","- Ni Ti -","- Ni Ti -","- Ni9 Ti9 -","9","1.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9014327","4.831","","4.831","","5.568","","90","","90","","120","","112.539","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 4.58 GPa T = 293 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014334","8.1472","","8.1472","","8.1472","","90","","90","","90","","540.786","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg O4 -","- Al1.61 Fe0.39 Mg O4 -","- Al12.88 Fe3.12 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 9 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014368","15.883","","15.883","","7.1093","","90","","90","","120","","1553.18","","","","","","","","","","","","Maigen, Moldanubian nappes, Lower Austria","14","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.922 B6.15 Ca0.01 F0.26 Fe1.338 H8.22 K0.01 Li0.42 Mn0.798 Na0.56 O42.74 Si5.568 Ti0.018 Zn0.06 -","- Al8.922 B6.15 Ca0.01 F0.26 Fe1.338 H8.22 K0.01 Li0.42 Mn0.798 Na0.56 O42.74 Si5.568 Ti0.018 Zn0.06 -","- Al26.766 B18.45 Ca0.03 F0.78 Fe4.014 H24.66 K0.03 Li1.26 Mn2.394 Na1.68 O128.22 Si16.704 Ti0.054 Zn0.18 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MAG","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014386","8.1701","","8.1701","","8.1701","","90","","90","","90","","545.359","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.54 Mg1.001 O4 -","- Al1.461 Fe0.54 Mg1.001 O4 -","- Al11.688 Fe4.32 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014404","2.696","","2.696","","5.147","","90","","90","","90","","37.411","","","","","","","","","","","","Luobusha, Tibet, China","2","P 4/m m m","-P 4 2","123","","","Linzhiite","- Fe Si2 -","- Fe Si2 -","- Fe Si2 -","1","0.0625","","Li, G.; Bai, W.; Shi, N.; Fang, Q.; Xiong, M.; Yang, J.; Ma, Z.; Rong, H.","Linzhiite, FeSi2, a redefined and revalidated new mineral species from Luobusha, Tibet, China","European Journal of Mineralogy","2012","24","","1047","1052","10.1127/0935-1221/2012/0024-2237","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014409","8.1482","","8.1482","","8.1482","","90","","90","","90","","540.985","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.388 Mg1.001 O4 -","- Al1.609 Fe0.388 Mg1.001 O4 -","- Al12.872 Fe3.104 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014430","8.17","","8.17","","8.17","","90","","90","","90","","545.339","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.538 Mg1.001 O4 -","- Al1.46 Fe0.538 Mg1.001 O4 -","- Al11.68 Fe4.304 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014450","5.8448","","17.9749","","8.3771","","90","","90","","90","","880.096","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.38 Mg0.17 O4 Si0.45 -","- Fe2.37987 Mg0.170167 O4 Si0.449967 -","- Fe28.5584 Mg2.042 O48 Si5.3996 -","12","0.75","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8v0095, Spinelloid-II","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014457","8.1465","","8.1465","","8.1465","","90","","90","","90","","540.646","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.389 Mg0.999 O4 -","- Al1.61 Fe0.389 Mg0.999 O4 -","- Al12.88 Fe3.112 Mg7.992 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 360 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014465","8.1712","","8.1712","","8.1712","","90","","90","","90","","545.579","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.457 Fe0.541 Mg O4 -","- Al1.457 Fe0.541 Mg O4 -","- Al11.656 Fe4.328 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014499","8.1478","","8.1478","","8.1478","","90","","90","","90","","540.905","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 60 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014510","8.17","","8.17","","8.17","","90","","90","","90","","545.339","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 9 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014526","8.1457","","8.1457","","8.1457","","90","","90","","90","","540.487","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.392 Mg1.001 O4 -","- Al1.61 Fe0.392 Mg1.001 O4 -","- Al12.88 Fe3.136 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 5340 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014538","14.319","","17.825","","5.242","","90","","103.5","","90","","1300.98","","","","","","","","","","","","Aris phonolite, Namibia","6","C 1 2/m 1","-C 2y","12","","","Windhoekite","- Ca1.98 Fe2.76 H20 Mn0.14 O32 Si8 -","- Ca1.98 Fe2.76 H20 Mn0.14 O32 Si8 -","- Ca3.96 Fe5.52 H40 Mn0.28 O64 Si16 -","2","0.25","","Chukanov, N. V.; Britvin, S. N.; Blass, G.; Belakovskiy, D. I.; Van, K. V.","Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral from the Aris phonolite, Namibia Note: the chemical formula for this mineral cannot be obtained from the crystal structure. The structure is missing two oxygens, and the OH positions were not given.","European Journal of Mineralogy","2012","24","","171","179","10.1127/0935-1221/2011/0023-2161","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014548","8.1697","","8.1697","","8.1697","","90","","90","","90","","545.278","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.458 Fe0.541 Mg1.001 O4 -","- Al1.458 Fe0.541 Mg1.001 O4 -","- Al11.664 Fe4.328 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014615","4.8691","","4.3184","","2.9594","","90","","90","","90","","62.226","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H2 O2 -","- Cr H2 O2 -","- Cr2 H4 O4 -","2","0.25","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run #630","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014637","8.1457","","8.1457","","8.1457","","90","","90","","90","","540.487","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg O4 -","- Al1.61 Fe0.39 Mg O4 -","- Al12.88 Fe3.12 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014652","4.9858","","4.9858","","5.6473","","90","","90","","120","","121.574","","","","","","","","","","","","Synthetic","2","P 32 2 1","","","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Yamanaka, T.; Ogata, K.","Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 0.0001 GPa T = 293 K Note: quartz structure","Journal of Applied Crystallography","1991","24","","111","118","10.1107/S0021889890011153","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014715","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.391 Mg0.999 O4 -","- Al1.61 Fe0.391 Mg0.999 O4 -","- Al12.88 Fe3.128 Mg7.992 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 6 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014717","8.169","","8.169","","8.169","","90","","90","","90","","545.138","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.462 Fe0.537 Mg O4 -","- Al1.462 Fe0.537 Mg O4 -","- Al11.696 Fe4.296 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 93 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014718","5.2526","","4.7331","","8.6322","","90","","90.8","","90","","214.585","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- O3 Sb -","- O3 Sb -","- O12 Sb4 -","4","1","","Fourquet, J.; Gillet, P.; Le Bail, A.","Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1). _cod_database_code 1000143","Materials Research Bulletin","1989","24","","1207","1214","10.1016/0025-5408(89)90195-5","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014742","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.45 Fe0.55 Mg O4 -","- Al1.45 Fe0.55 Mg O4 -","- Al11.6 Fe4.4 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014762","13.973","","5.6984","","11.988","","90","","114.1","","90","","871.327","","","","","","","","","","","","Saima alkaline complex, Liaoning Province, NE China","7","C 1 2/m 1","-C 2y","12","","","Hezuolinite","- Ce0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91 -","- Ce0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91 -","- Ce1.2 Fe0.732 O44 Si8 Sr6.8 Ti7.448 Zr1.82 -","2","0.25","","Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E.","Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of the chevkinite group from Saima alkaline complex, Liaoning Province, NE China","European Journal of Mineralogy","2012","24","","189","196","10.1127/0935-1221/2011/0023-2158","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014779","7.1","","7.125","","19.955","","92.406","","94.924","","90.42","","1004.8","","","","","","","","","","","","Belorechenskoye deposit, Northern Caucasus, Russia","7","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","Rauchite","- As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2 -","- As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2 -","- As3.56 H40 Mg0.62 Ni1.38 O44 P0.44 U4 -","2","","","Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V.","New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group","European Journal of Mineralogy","2012","24","","913","922","10.1127/0935-1221/2012/0024-2217","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014821","8.1479","","8.1479","","8.1479","","90","","90","","90","","540.925","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al12.88 Fe3.112 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014828","5.8319","","11.8873","","8.3522","","90","","90","","90","","579.021","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.16 Mg0.31 O4 Si0.53 -","- Fe2.1599 Mg0.3101 O4 Si0.53 -","- Fe17.2792 Mg2.4808 O32 Si4.24 -","8","0.5","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 8f5v0128, Spinelloid-III","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014831","8.1472","","8.1472","","8.1472","","90","","90","","90","","540.786","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.611 Fe0.39 Mg O4 -","- Al1.611 Fe0.39 Mg O4 -","- Al12.888 Fe3.12 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014896","8.1465","","8.1465","","8.1465","","90","","90","","90","","540.646","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al12.88 Fe3.112 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 9 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014903","11.6044","","11.6044","","11.6044","","90","","90","","90","","1562.67","","","","","","","","","","","","inclusion in diamond, Jericho kimberlite, Slave Craton, Canada","7","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 -","- Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 -","- Al15.84 Ca5.52 Cr0.16 Fe8.64 Mg9.84 O96 Si24 -","8","0.0833333","","Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M.","In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: Parameters transformed to room conditions from pressure effect of diamond","European Journal of Mineralogy","2012","24","","599","606","10.1127/0935-1221/2012/0024-2212","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014923","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.463 Fe0.538 Mg1.003 O4 -","- Al1.463 Fe0.538 Mg1.003 O4 -","- Al11.704 Fe4.304 Mg8.024 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014959","8.1473","","8.1473","","8.1473","","90","","90","","90","","540.806","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.611 Fe0.391 Mg O4 -","- Al1.611 Fe0.391 Mg O4 -","- Al12.888 Fe3.128 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = Untreated min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014984","15.9476","","15.9476","","7.1578","","90","","90","","120","","1576.53","","","","","","","","","","","","Konigsalm, Moldanian nappes, Lower Austria","12","R 3 m :H","R 3 -2""","160","","","Magnesiofoitite","- Al6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009 -","- Al6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009 -","- Al20.088 B9 F0.09 Fe3.6 H11.73 Li0.027 Mg3.096 Mn0.117 Na1.47 O92.91 Si17.856 Ti0.027 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK42","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014987","3.9624","","13.86","","3.6971","","90","","90","","90","","203.041","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014989","8.1465","","8.1465","","8.1465","","90","","90","","90","","540.646","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014990","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.463 Fe0.537 Mg1.002 O4 -","- Al1.463 Fe0.537 Mg1.002 O4 -","- Al11.704 Fe4.296 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 60 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015020","8.1701","","8.1701","","8.1701","","90","","90","","90","","545.359","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.538 Mg O4 -","- Al1.46 Fe0.538 Mg O4 -","- Al11.68 Fe4.304 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015031","6.947","","6.947","","6.133","","90","","90","","90","","295.984","","","","","","","","","","","","Stetind quarry, Tysfjord, Norway","8","I -4 2 d","I -4 2bw","122","","","Atelisite-(Y)","- Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12 -","- Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12 -","- Dy0.12 Er0.2 Gd0.08 H8 O16 Si2.92 Y3.12 Yb0.48 -","4","0.25","","Malcherek, T.; Mihailova, B.; Schluter, J.; Husdal, T.","Atelisite-(Y), a new rare earth defect silicate of the KDP structure type","European Journal of Mineralogy","2012","24","","1053","1060","10.1127/0935-1221/2012/0024-2242","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015051","8.1698","","8.1698","","8.1698","","90","","90","","90","","545.298","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.537 Mg1.002 O4 -","- Al1.46 Fe0.537 Mg1.002 O4 -","- Al11.68 Fe4.296 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015062","5.4363","","10.5","","7.075","","97.701","","110.295","","102.021","","360.987","","","","","","","","","","","","Aghbar, Anti-Atlas, Morocco","5","P -1","-P 1","2","","","Maghrebite","- Al2 As2 H18 Mg O18 -","- Al2 As2 H18 Mg O18 -","- Al2 As2 H18 Mg O18 -","1","0.5","","Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G.","Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group","European Journal of Mineralogy","2012","24","","717","726","10.1127/0935-1221/2012/0024-2172","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9015109","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.462 Fe0.538 Mg1.001 O4 -","- Al1.462 Fe0.538 Mg1.001 O4 -","- Al11.696 Fe4.304 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015179","8.1483","","8.1483","","8.1483","","90","","90","","90","","541.005","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.608 Fe0.388 Mg1.002 O4 -","- Al1.608 Fe0.388 Mg1.002 O4 -","- Al12.864 Fe3.104 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 6141 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015183","8.1477","","8.1477","","8.1477","","90","","90","","90","","540.885","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.388 Mg O4 -","- Al1.61 Fe0.388 Mg O4 -","- Al12.88 Fe3.104 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015202","8.1476","","8.1476","","8.1476","","90","","90","","90","","540.865","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.388 Mg1.001 O4 -","- Al1.609 Fe0.388 Mg1.001 O4 -","- Al12.872 Fe3.104 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015218","8.1482","","8.1482","","8.1482","","90","","90","","90","","540.985","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015245","15.987","","15.987","","7.163","","90","","90","","120","","1585.47","","","","","","","","","","","","Konigsalm, Moldanubian nappes, Lower Austria","15","R 3 m :H","R 3 -2""","160","","","Fluor-schorl","- Al6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009 -","- Al6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009 -","- Al19.773 B9.054 Ca0.15 F1.74 Fe5.688 H9.54 K0.03 Li0.207 Mg0.684 Mn0.864 Na2.28 O91.26 Si17.316 Ti0.36 Zn0.027 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK12","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015267","7.6638","","6.867","","14.5554","","90","","90","","90","","766.012","","","","","","","","","","","","the Tolbachik volcano, Kamchatka Peninsula, Russia","4","P n m a","-P 2ac 2n","62","","","Cupromolybdite","- Cu3 Mo1.94 O9 S0.06 -","- Cu3 Mo1.94 O9 S0.06 -","- Cu12 Mo7.76 O36 S0.24 -","4","0.5","","Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y.","Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia","European Journal of Mineralogy","2012","24","","749","757","10.1127/0935-1221/2012/0024-2221","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015291","8.169","","8.169","","8.169","","90","","90","","90","","545.138","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 960 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015340","4.8623","","4.2972","","2.9567","","90","","90","","90","","61.778","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P 21 n m","P -2 2ac","31","","","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.5","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015352","8.1466","","8.1466","","8.1466","","90","","90","","90","","540.666","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.391 Mg O4 -","- Al1.609 Fe0.391 Mg O4 -","- Al12.872 Fe3.128 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015366","8.1472","","8.1472","","8.1472","","90","","90","","90","","540.786","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015390","4.99029","","4.99029","","17.0687","","90","","90","","120","","368.114","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015401","3.9624","","13.86","","3.6971","","90","","90","","90","","203.041","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015429","8.1697","","8.1697","","8.1697","","90","","90","","90","","545.278","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.463 Fe0.537 Mg O4 -","- Al1.463 Fe0.537 Mg O4 -","- Al11.704 Fe4.296 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, Untreated","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015449","8.1479","","8.1479","","8.1479","","90","","90","","90","","540.925","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg1.002 O4 -","- Al1.61 Fe0.39 Mg1.002 O4 -","- Al12.88 Fe3.12 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 30 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015470","8.1469","","8.1469","","8.1469","","90","","90","","90","","540.726","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg O4 -","- Al1.61 Fe0.39 Mg O4 -","- Al12.88 Fe3.12 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015539","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.457 Fe0.544 Mg1.001 O4 -","- Al1.457 Fe0.544 Mg1.001 O4 -","- Al11.656 Fe4.352 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015577","8.1699","","8.1699","","8.1699","","90","","90","","90","","545.318","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 60 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015647","8.1687","","8.1687","","8.1687","","90","","90","","90","","545.078","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015664","8.1707","","8.1707","","8.1707","","90","","90","","90","","545.479","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.537 Mg1.003 O4 -","- Al1.459 Fe0.537 Mg1.003 O4 -","- Al11.672 Fe4.296 Mg8.024 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015705","8.1457","","8.1457","","8.1457","","90","","90","","90","","540.487","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.611 Fe0.388 Mg O4 -","- Al1.611 Fe0.388 Mg O4 -","- Al12.888 Fe3.104 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015709","8.1693","","8.1693","","8.1693","","90","","90","","90","","545.198","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015716","8.1685","","8.1685","","8.1685","","90","","90","","90","","545.038","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015759","8.146","","8.146","","8.146","","90","","90","","90","","540.547","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg O4 -","- Al1.61 Fe0.39 Mg O4 -","- Al12.88 Fe3.12 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 93 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015779","11.5826","","11.5825","","11.5826","","90","","90","","90","","1553.87","","","","","","","","","","","","inclusion in diamond, Jericho kimberlite, Slave Craton, Canada","7","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 -","- Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 -","- Al15.84 Ca5.52 Cr0.16 Fe8.64 Mg9.84 O96 Si24 -","8","0.0833333","","Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M.","In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: uncorrected for pressure inside the diamond","European Journal of Mineralogy","2012","24","","599","606","10.1127/0935-1221/2012/0024-2212","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015782","8.1705","","8.1705","","8.1705","","90","","90","","90","","545.439","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.537 Mg1.001 O4 -","- Al1.461 Fe0.537 Mg1.001 O4 -","- Al11.688 Fe4.296 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015813","2.8758","","4.12644","","4.6325","","90","","90","","96.964","","54.567","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015845","8.1703","","8.1703","","8.1703","","90","","90","","90","","545.399","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.537 Mg1.001 O4 -","- Al1.46 Fe0.537 Mg1.001 O4 -","- Al11.68 Fe4.296 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015912","15.8887","","15.8887","","7.1202","","90","","90","","120","","1556.68","","","","","","","","","","","","Maigen, Moldanubian nappes, Lower Austria","11","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009 -","- Al7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009 -","- Al22.176 B9.126 Ca0.06 F2.43 H9.57 Li2.34 Mn1.953 Na2.52 O90.57 Si17.766 Ti0.027 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MAP12","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015913","15.9107","","15.9107","","7.1267","","90","","90","","120","","1562.42","","","","","","","","","","","","Blocherleitengraben, Moldanubian nappes, Lower Austria","14","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018 -","- Al8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018 -","- Al25.11 B18.18 Ca0.15 F2.37 Fe3.366 H18.09 K0.03 Li3.546 Mn2.88 Na2.67 O126.63 Si17.604 Ti0.234 Zn0.054 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLG1","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015930","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.457 Fe0.539 Mg1.002 O4 -","- Al1.457 Fe0.539 Mg1.002 O4 -","- Al11.656 Fe4.312 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9015946","8.1481","","8.1481","","8.1481","","90","","90","","90","","540.965","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.608 Fe0.389 Mg1.003 O4 -","- Al1.608 Fe0.389 Mg1.003 O4 -","- Al12.864 Fe3.112 Mg8.024 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9015967","4.8623","","4.2972","","2.9567","","90","","90","","90","","61.778","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H2 O2 -","- Cr H2 O2 -","- Cr2 H4 O4 -","2","0.25","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9015971","8.1477","","8.1477","","8.1477","","90","","90","","90","","540.885","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.608 Fe0.389 Mg1.001 O4 -","- Al1.608 Fe0.389 Mg1.001 O4 -","- Al12.864 Fe3.112 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016004","8.1465","","8.1465","","8.1465","","90","","90","","90","","540.646","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.391 Mg1.001 O4 -","- Al1.61 Fe0.391 Mg1.001 O4 -","- Al12.88 Fe3.128 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016007","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.54 Mg1.002 O4 -","- Al1.46 Fe0.54 Mg1.002 O4 -","- Al11.68 Fe4.32 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016021","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.455 Fe0.545 Mg O4 -","- Al1.455 Fe0.545 Mg O4 -","- Al11.64 Fe4.36 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016022","4.99026","","4.99026","","17.0684","","90","","90","","120","","368.103","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016029","8.1705","","8.1705","","8.1705","","90","","90","","90","","545.439","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.54 Mg1.003 O4 -","- Al1.459 Fe0.54 Mg1.003 O4 -","- Al11.672 Fe4.32 Mg8.024 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016051","8.1704","","8.1704","","8.1704","","90","","90","","90","","545.419","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.463 Fe0.535 Mg1.002 O4 -","- Al1.463 Fe0.535 Mg1.002 O4 -","- Al11.704 Fe4.28 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 6 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016076","8.1712","","8.1712","","8.1712","","90","","90","","90","","545.579","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 6141 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016090","8.1476","","8.1476","","8.1476","","90","","90","","90","","540.865","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.39 Mg1.001 O4 -","- Al1.609 Fe0.39 Mg1.001 O4 -","- Al12.872 Fe3.12 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016096","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.391 Mg O4 -","- Al1.609 Fe0.391 Mg O4 -","- Al12.872 Fe3.128 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016101","15.843","","15.843","","7.1051","","90","","90","","120","","1544.46","","","","","","","","","","","","Blocherleitengraben, Moldanubian nappes, Lower Austria","12","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 -","- Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 -","- Al27.072 B18.864 Ca0.36 F2.07 Fe0.54 H18.93 Li4.14 Mn2.574 Na2.28 O126.93 Si17.136 Ti0.054 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLP1","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016106","48.19","","4.11","","34.24","","90","","106.059","","90","","6516.97","","","","","","","","","","","","the Low Tatra Mountains, Western Carpathians, Slovakia","4","C 1 2/m 1","-C 2y","12","","","Chovanite","- O0.18 Pb13.44 S36 Sb15.56 -","- O0.18 Pb13.44 S36 Sb15.56 -","- O0.72 Pb53.76 S144 Sb62.24 -","4","0.5","","Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S","Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia","European Journal of Mineralogy","2012","24","","727","740","10.1127/0935-1221/2012/0024-2189","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016124","17.91","","6.985","","6.594","","90","","99.89","","90","","812.659","","","","","","","","","","","","Belorechenskoye deposit, Northern Caucasus, Russia","6","C 1 2/m 1","-C 2y","12","","","Dymkovite","- As2 H14 Mg0.4 Ni0.6 O17 U2 -","- As2 H14 Mg0.4 Ni0.6 O17 U2 -","- As4 H28 Mg0.8 Ni1.2 O34 U4 -","2","0.25","","Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Chukanov, N. V.; Bryzgalov, I. A.; Zadov, A. E.","New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: II. Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite","European Journal of Mineralogy","2012","24","","923","930","10.1127/0935-1221/2012/0024-2219","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016175","8.1481","","8.1481","","8.1481","","90","","90","","90","","540.965","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al12.88 Fe3.112 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016227","3.01302","","3.01302","","3.01302","","90","","90","","90","","27.353","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","1","0.0208333","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016238","8.1463","","8.1463","","8.1463","","90","","90","","90","","540.606","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.608 Fe0.39 Mg O4 -","- Al1.608 Fe0.39 Mg O4 -","- Al12.864 Fe3.12 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 960 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016246","19.905","","7.098","","5.405","","90","","96.349","","90","","758.966","","","","","","","","","","","","Lohley quarry, Rhineland-Palatinate, Germany","13","C 1 2/m 1","-C 2y","12","","","Lileyite","- Ba1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2 -","- Ba1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2 -","- Ba3 Ca0.8 F3.2 Fe1.2 K0.6 Mg1.6 Mn0.4 Na3.8 Nb0.2 O32.8 Si8 Sr0.4 Ti4 -","2","0.25","","Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Zadov, A. E.; Van, K. V.; Blass, G.; Schuller, W.; Ternes, B.","Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group mineral from the Eifel volcanic area, Germany","European Journal of Mineralogy","2012","24","","181","188","10.1127/0935-1221/2012/0024-2174","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:35",""
"9016267","8.1475","","8.1475","","8.1475","","90","","90","","90","","540.845","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.388 Mg O4 -","- Al1.61 Fe0.388 Mg O4 -","- Al12.88 Fe3.104 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016316","8.1468","","8.1468","","8.1468","","90","","90","","90","","540.706","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.388 Mg O4 -","- Al1.61 Fe0.388 Mg O4 -","- Al12.88 Fe3.104 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 60 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016328","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.391 Mg O4 -","- Al1.609 Fe0.391 Mg O4 -","- Al12.872 Fe3.128 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016336","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.538 Mg1.001 O4 -","- Al1.459 Fe0.538 Mg1.001 O4 -","- Al11.672 Fe4.304 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016342","2.8894","","4.1334","","4.6321","","90","","90","","96.929","","54.917","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016343","8.1709","","8.1709","","8.1709","","90","","90","","90","","545.519","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.468 Fe0.53 Mg1.004 O4 -","- Al1.468 Fe0.53 Mg1.004 O4 -","- Al11.744 Fe4.24 Mg8.032 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 30 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016355","4.726","","8.659","","5.2306","","90","","90","","90","","214.049","","","","","","","","","","","","","3","P n c n","-P 2ab 2n","52","","","","- Li0.4 O3 Sb -","- Li0.4 O3 Sb -","- Li1.6 O12 Sb4 -","4","0.5","","Fourquet, J.; Gillet, P.; Le Bail, A.","Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1). _cod_database_code 1000142","Materials Research Bulletin","1989","24","","1207","1214","10.1016/0025-5408(89)90195-5","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016363","8.1471","","8.1471","","8.1471","","90","","90","","90","","540.766","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg1.002 O4 -","- Al1.609 Fe0.389 Mg1.002 O4 -","- Al12.872 Fe3.112 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016364","8.1684","","8.1684","","8.1684","","90","","90","","90","","545.018","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.539 Mg1.002 O4 -","- Al1.459 Fe0.539 Mg1.002 O4 -","- Al11.672 Fe4.312 Mg8.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 5340 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016370","8.1478","","8.1478","","8.1478","","90","","90","","90","","540.905","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016377","16.749","","16.749","","16.749","","90","","90","","90","","4698.58","","","","","","","","","","","","Val Cavallizza mine, Cuasso al Monte, Varese province, Italy","8","F d -3 :2","-F 2uv 2vw 3","203","","","Chukhrovite-(Ca)","- Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S -","- Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S -","- Al16 Ca34.64 F104 Fe0.24 H192 Na0.96 O128 S8 -","8","0.0833333","","Vignola, P.; Hatert, F.; Bersani, D.; Diella, V.; Gentile, P.; Risplendente, A.","Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy","European Journal of Mineralogy","2012","24","","1069","1076","10.1127/0935-1221/2012/0024-2247","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016416","8.1694","","8.1694","","8.1694","","90","","90","","90","","545.218","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.54 Mg0.999 O4 -","- Al1.461 Fe0.54 Mg0.999 O4 -","- Al11.688 Fe4.32 Mg7.992 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 45 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016441","16.476","","24.581","","9.996","","90","","90","","105.79","","3895.58","","","","","","","","","","","","Nickel Plate mine, South Dakota, USA","12","B 1 1 2/b","-B 2b","15","","","Arrojadite-(KFe)","- Al Ba0.25 Ca F3.32 Fe12 H1.32 K0.25 Mn2 Na2.25 O46.68 P12 Sr0.25 -","- Al Ba0.25 Ca F3.32 Fe12 H1.32 K0.25 Mn2 Na2.25 O46.68 P12 Sr0.25 -","- Al4 Ba Ca4 F13.28 Fe48 H5.28 K Mn8 Na9 O186.72 P48 Sr -","4","0.5","","Krutik, V. M.; Pushcharovskii, D. Y.; Podebimskaya, E. A.; Belov, N. V.","Crystal structure of arrojadite","Kristallografiya","1979","24","","743","750","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016449","10.3894","","10.3894","","20.8709","","90","","90","","120","","1950.98","","","","","","","","","","","","the Molinello mine,Val Graveglia, Italy","11","R -3 :H","-R 3","148","","","Paseroite","- Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 -","- Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 -","- Fe3.12 Mg0.06 Mn5.61 Na0.54 O114 Pb1.83 Sr1.17 Ti21.06 U0.06 V23.22 Zn0.75 -","3","0.166667","","Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G.","Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group","European Journal of Mineralogy","2012","24","","1061","1067","10.1127/0935-1221/2012/0024-2243","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016474","8.1704","","8.1704","","8.1704","","90","","90","","90","","545.419","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.539 Mg1.001 O4 -","- Al1.459 Fe0.539 Mg1.001 O4 -","- Al11.672 Fe4.312 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 9 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016504","8.1461","","8.1461","","8.1461","","90","","90","","90","","540.567","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016564","8.1696","","8.1696","","8.1696","","90","","90","","90","","545.258","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 360 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016577","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.391 Mg O4 -","- Al1.609 Fe0.391 Mg O4 -","- Al12.872 Fe3.128 Mg8 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016602","5.8506","","17.9793","","8.3779","","90","","90","","90","","881.269","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.48 Mg0.09 O4 Si0.43 -","- Fe2.48033 Mg0.0897 O4 Si0.429967 -","- Fe29.764 Mg1.0764 O48 Si5.1596 -","12","0.75","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8b1195, Spinelloid-II","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016676","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.541 Mg1.001 O4 -","- Al1.46 Fe0.541 Mg1.001 O4 -","- Al11.68 Fe4.328 Mg8.008 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016680","8.938","","5.789","","10.153","","90","","114.54","","90","","477.884","","","","","","","","","","","","Eifel, Germany","11","P 1 21/m 1","-P 2yb","11","","","Ferriallanite-(La)","- Al1.356 Ca1.09 Ce0.42 Fe1.134 H La0.49 Mg0.05 Mn0.29 O13 Si3 Ti0.17 -","- Al1.356 Ca1.09 Ce0.42 Fe1.134 H La0.49 Mg0.05 Mn0.29 O13 Si3 Ti0.17 -","- Al2.712 Ca2.18 Ce0.84 Fe2.268 H2 La0.98 Mg0.1 Mn0.58 O26 Si6 Ti0.34 -","2","0.5","","Kolitsch, U.; Mills, S. J.; Miyawaki, R.; Blass, G.","Ferriallanite-(La), a new member of the epidote supergroup from the Eifel, Germany","European Journal of Mineralogy","2012","24","","741","747","10.1127/0935-1221/2012/0024-2210","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016698","8.1709","","8.1709","","8.1709","","90","","90","","90","","545.519","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.54 Mg1.003 O4 -","- Al1.459 Fe0.54 Mg1.003 O4 -","- Al11.672 Fe4.32 Mg8.024 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016721","15.9783","","15.9783","","7.1507","","90","","90","","120","","1581.03","","","","","","","","","","","","Maigen, Moldanubian nappes, Lower Austria","15","R 3 m :H","R 3 -2""","160","","","Schorl","- Al7.872 B3 Ca0.01 F0.26 Fe3.258 H3.74 K0.01 Li0.06 Mg0.318 Mn0.222 Na0.61 O39.74 Si5.652 Ti0.24 Zn0.078 -","- Al7.872 B3 Ca0.01 F0.26 Fe3.258 H3.74 K0.01 Li0.06 Mg0.318 Mn0.222 Na0.61 O39.74 Si5.652 Ti0.24 Zn0.078 -","- Al23.616 B9 Ca0.03 F0.78 Fe9.774 H11.22 K0.03 Li0.18 Mg0.954 Mn0.666 Na1.83 O119.22 Si16.956 Ti0.72 Zn0.234 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MASR","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017466","12.485","","12.485","","8.264","","90","","90","","120","","1115.57","","","","","","","","","","","","natural crystal from unreported locality","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Tsirelson, V. G.; Sokolova, Y. V.; Urusov, V. S.","An X-ray diffraction study of the electron-density distribution and electrostatic potential in phenakite Be2SiO4","Geochemistry International","1987","24","","101","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017536","10.305","","10.305","","10.305","","90","","90","","90","","1094.32","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hydrokenoelsmoreite","- H2 O7 W2 -","- H2 O7 W2 -","- H16 O56 W16 -","8","0.0416667","","Gunter, J. R.; Amberg, M.; Schmalle, H.","Direct synthesis and single crystal structure determination of cubic pyrochlore-type tungsten trioxide hemihydrate, WO3*0.5H2O","Materials Research Bulletin","1989","24","","289","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""