# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-14T03:03:07+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c 21 b' 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
"1506495","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, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Approaches to the preparation of carborane-containing carbosilane compounds.","Organic letters","2005","7","2","231","233","10.1021/ol0478335","","x-ray","0.71073","Mokα","","0.1062","0.0674","","","0.1028","0.1153","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508072","16.886","0.009","16.953","0.009","20.895","0.011","90","","90","","90","","5982","5","141","1","141","1","","","","","","","","5","P c 21 b","P -2bc -2c","29","","","","- C26 H48 N4 Si2 U -","- C26 H48 N4 Si2 U -","- C208 H384 N32 Si16 U8 -","8","2","","Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.","Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.","Nature chemistry","2010","2","9","723","729","10.1038/nchem.705","","","0.71073","MoKα","","0.1072","0.0658","","","0.1512","0.1785","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517083","7.841","0.0002","13.755","0.0005","17.44","0.0009","90","","90","","90","","1880.96","0.13","298","","","","","","","","","","synthetic","4","P c 21 b","P -2bc -2c","29","","(4aS,8S,8aS)-4,7,8a-trimethyl-8-[(p-methylphenylsulfonyl)methyl]- 1,2,4a,5,8,8a-hexahydronaphthalene","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Imagawa, Hiroshi; Iyenaga, Tomoaki; Nishizawa, Mugio","Mercuric triflate-catalyzed tandem cyclization leading to polycarbocycles.","Organic letters","2005","7","3","451","453","10.1021/ol047472t","","","0.71073","MoKα","","0.0462","0.0436","","","0.1228","0.1316","","","","","","1.193","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1529709","10.403","","16.68","","21.095","","90","","90","","90","","3660.45","","","","","","","","","","","","","4","P c 21 b","P -2bc -2c","29","","Na6 W7 O24 (H2 O)14","","- H28 Na6 O38 W7 -","- Na6 O38 W7 -","- Na24 O152 W28 -","4","1","","Burtseva, K.G.; Chernaya, T.S.; Sirota, M.I.","Determination of the crystal and molecular structure of sodium paratungstate","Doklady Akademii Nauk SSSR","1978","243","","104","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535863","6.288","","14.658","","18.059","","90","","90","","90","","1664.49","","","","","","","","","","","","","4","P c 21 b","P -2bc -2c","29","","K3 Ti3 (P O4)5","","- K3 O20 P5 Ti3 -","- K3 O20 P5 Ti3 -","- K12 O80 P20 Ti12 -","4","1","","Nagornyi, P.G.; Kapshuk, A.A.","Synthesis and structure of a double phosphate K3Ti3P5O20","Zhurnal Neorganicheskoi Khimii","1993","38","","11","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537275","5.494","","15.461","","5.551","","90","","90","","90","","471.517","","","","","","","","","","","","","3","P c 21 b","P -2bc -2c","29","","Na (Nb O3)","","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","2","","von der Muehll, R.; Sadel, A.; Hagenmuller, P.","Structure cristalline a 295 K de la phase ferroelectrique Li0.02 Na0.98 Nb O3","Journal of Solid State Chemistry","1984","51","","176","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1566173","5.1389","0.0005","8.3386","0.0007","20.173","0.002","90","","90","","90","","864.44","0.14","150","2","150","2","","","","","","","synthesis as described","4","P c 21 b","P -2bc -2c","29","","","","- C12 H7 N O2 -","- C12 H7 N O2 -","- C48 H28 N4 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.07","0.0645","","","0.1816","0.1856","","","","","","1.148","","","","has coordinates","272272","2022-01-27","09:25:05",""
"2000737","7.139","0.006","19.008","0.009","8.469","0.009","90","","90","","90","","1149.2","1.6","","","","","","","","","","","","4","P c 21 b","P -2bc -2c","","","","","- H La O6 Se2 -","- La O6 Se2 -","- La8 O48 Se16 -","8","2","CR0356","Morris, R.; Harrison, W. T. A.; Stucky, G. D.; Cheetham, A. K.","The synthesis and crystal structure of LaHSe~2~O~6~, a layered anhydrous selenite","Acta Crystallographica Section C","1992","48","7","1182","1185","10.1107/S0108270191014300","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006122","9.556","0.003","18.257","0.003","18.629","0.003","90","","90","","90","","3250.1","1.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","3-Acetamido-4-N-cyclooctylaminonitrobenzene","","- C16 H23 N3 O3 -","- C16 H23 N3 O3 -","- C128 H184 N24 O24 -","8","2","KA1198","González-Platas, J.; Ruiz-Pérez, C.; Torres, M.; Yanes, C.","3-Acetamido-4-(cyclooctylamino)nitrobenzene","Acta Crystallographica Section C","1997","53","5","651","654","10.1107/S0108270196007202","","","0.71069","MoKα","","0.1577","0.0639","","0.2117","0.157","","","","1.034","1.157","1.157","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2202571","7.0098","0.0015","9.363","0.002","13.344","0.003","90","","90","","90","","875.8","0.3","93","2","93","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","1,3,4-trinitro-7,8-diazapentalene","1,3,4-trinitro-7,8-diazapentalene","","- C6 H3 N5 O6 -","- C6 H3 N5 O6 -","- C24 H12 N20 O24 -","4","1","CV6220","Butcher, Ray J.; Bottaro, Jeffrey C.; Gilardi, R.","1,3,4-Trinitro-7,8-diazapentalene","Acta Crystallographica Section E","2003","59","11","o1780","o1782","10.1107/S1600536803020051","","","0.71073","MoKα","","0.0513","0.0479","","","0.109","0.1104","","","","","","1.183","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2214039","6.5352","0.0002","17.858","0.0003","20.4249","0.0003","90","","90","","90","","2383.7","0.09","293","2","293","2","","","","","","","","5","P c 21 b","P -2bc -2c","29","","1,3-bis(2-methylanilino)-1-phenylbutane(1+) hexafluorophosphate","","- C24 H25 F6 N2 P -","- C24 H25 F6 N2 P -","- C96 H100 F24 N8 P4 -","4","1","AV3093","Najoua Belhaj Mbarek Elmkacher; Mohamed Rzaigui; Faouzi Bouachir","The protonated β-iminoamine 1,3-bis(2-methylanilino)-1-phenylbutane(1+) hexafluorophosphate","Acta Crystallographica Section E","2007","63","7","o3075","o3075","10.1107/S1600536807026232","","","0.71073","MoKα","","0.1166","0.0507","","","0.1171","0.1453","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2223719","8.8928","0.0004","16.2936","0.0006","18.952","0.0011","90","","90","","90","","2746.1","0.2","173","2","173","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","","(η^6^-<i>p</i>-Cymene){bis(trichlorostannyl-<i>κSn</i>)} (triethylphosphite-<i>κP</i>)ruthenium(II)","","- C16 H29 Cl6 O3 P Ru Sn2 -","- C16 H29 Cl6 O3 P Ru Sn2 -","- C64 H116 Cl24 O12 P4 Ru4 Sn8 -","4","1","DN2502","Shapovalov, Sergey S.; Therrien, Bruno","(η^6^-<i>p</i>-Cymene)bis(trichloridostannyl)(triethoxyphosphine-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section E","2009","65","11","m1418","","10.1107/S1600536809042986","","","0.71073","MoKα","","0.0163","0.0137","","","0.024","0.0243","","","","","","0.893","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2241321","3.9247","0.0019","11.549","0.006","28.111","0.014","90","","90","","90","","1274.2","1.1","293","2","293","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","","(2<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one","","- C13 H8 Br Cl O S -","- C13 H8 Br Cl O S -","- C52 H32 Br4 Cl4 O4 S4 -","4","1","TK5406","Anitha, B. R.; Vinduvahini, M.; Ravi, A. J.; Devarajegowda, H. C.","Crystal structure of (2<i>E</i>)-1-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","12","o930","","10.1107/S2056989015021155","","","0.71073","MoKα","","0.098","0.0624","","","0.1237","0.1365","","","","","","1.1","","","","has coordinates,has Fobs","170333","2020-10-21","18:00:00",""
"2243327","7.9117","0.0003","11.476","0.0004","20.9659","0.0007","90","","90","","90","","1903.59","0.12","173","2","173","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","","1,3-Dibenzyloxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate","","- C18 H19 B F4 N2 O2 S -","- C18 H19 B F4 N2 O2 S -","- C72 H76 B4 F16 N8 O8 S4 -","4","1","WM5549","Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates","Acta Crystallographica Section E","2020","76","4","552","556","10.1107/S2056989020003643","","","0.71073","MoKα","","0.0336","0.0296","","","0.0654","0.0674","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","249476","2020-10-21","18:00:00",""
"4022002","8.5096","0.0005","9.116","0.0003","22.3675","0.0012","90","","90","","90","","1735.13","0.15","293","2","293","2","","","","","","","","3","P c 21 b","P -2bc -2c","29","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Do Han Kim; Kwang Kim; Young Keun Chung","A Facile Synthesis of the Basic Steroidal Skeleton Using a Pauson-Khand Reaction as a Key Step","Journal of Organic Chemistry","2006","71","","8264","8267","10.1021/jo061052v","","","0.71073","MoKα","","0.0757","0.0491","","","0.1036","0.1156","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4083011","14.6958","0.0019","18.567","0.002","19.811","0.004","90","","90","","90","","5405.6","1.4","100","2","100","2","","","","","","","","8","P c 21 b","P -2bc -2c","29","","","","- C50 H43 As4 F N O18 P V4 -","- C50 H43 As4 F N O18 P V4 -","- C200 H172 As16 F4 N4 O72 P4 V16 -","4","1","","Rabeah, Jabor; Dimitrov, Anton; Surkus, Annette-Enrica; Jiao, Haijun; Baumann, Wolfgang; Stößer, Reinhard; Radnik, Jörg; Bentrup, Ursula; Brückner, Angelika","Control of Bridging Ligands in [(V2O3)2(RXO3)4⊂F]−Cage Complexes: A Unique Way To Tune Their Chemical Properties","Organometallics","2014","33","18","4905","","10.1021/om500153d","","","0.71073","MoKα","","0.0456","0.0344","","","0.0452","0.0462","","","","","","1.19","","","","has coordinates","178719","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",""
"4088841","9.7934","0.0004","23.4534","0.0008","26.9825","0.001","90","","90","","90","","6197.6","0.4","296","2","296.15","","","","","","","","","7","P c 21 b","P -2bc -2c","29","","","","- C62 H89 B2 F8 N3 Ni P4 -","- C62 H89 B2 F8 N3 Ni P4 -","- C248 H356 B8 F32 N12 Ni4 P16 -","4","1","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0574","0.0484","","","0.1151","0.1201","","","","","","1.052","","","","has coordinates","237853","2020-10-21","18:00:00",""
"4102690","9.304","0.006","24.02","0.015","27.949","0.018","90","","90","","90","","6246","7","283","2","283","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","","","","- C61 H77 Br2 Fe N P2 -","- C61 H77 Br2 Fe N P2 -","- C244 H308 Br8 Fe4 N4 P8 -","4","1","","Yumiko Nakajima; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshinori Tamada; Teruo Ono; Fumiyuki Ozawa","Electronic Structure of Four-Coordinate Iron(I) Complex Supported by a Bis(phosphaethenyl)pyridine Ligand","Journal of the American Chemical Society","2010","132","","9934","9936","10.1021/ja102009n","","","0.7107","MoKα","","0.2277","0.1064","","","0.2273","0.2968","","","","","","0.947","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4117034","7.74","0.002","9.059","0.002","14.818","0.004","90","","90","","90","","1039","0.5","233","2","233","2","","","","","","","","3","P c 21 b","P -2bc -2c","29","","","","- Cs N3 O4 -","- Cs N3 O4 -","- Cs8 N24 O32 -","8","2","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","0.71073","MoKα","","0.0197","0.0169","","0.0492","0.0416","","","","1.086","1.097","1.097","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4301127","11.8256","0.0003","17.5321","0.0005","23.7164","0.0007","90","","90","","90","","4917.1","0.2","150","2","150","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","","","","- C46 H40 Cd F6 N12 O6 S2 -","- C46 H40 Cd F6 N12 O6 S2 -","- C184 H160 Cd4 F24 N48 O24 S8 -","4","1","","Qing Wang; Jianyong Zhang; Chun-Feng Zhuang; Yu Tang; Cheng-Yong Su","Guest Inclusion and Interpenetration Tuning of Cd(II)/Mn(II) Coordination Grid Networks Assembled from a Rigid Linear Diimidazole Schiff Base Ligand","Inorganic Chemistry","2009","48","","287","295","10.1021/ic801770n","","","0.71073","MoKα","","0.1071","0.051","","","0.0961","0.1345","","","","","","1.094","","","","has coordinates,has disorder","179049","2020-10-21","18:00:00",""
"4311812","8.8607","0.0002","16.7448","0.0004","20.6625","0.0005","90","","90","","90","","3065.71","0.13","293","2","293","2","","","","","","","Synthesis. Crystallization from a dichloromethane/acetone/diethyl eter solution at room temperature by slow liquid-liquid difussion.","5","P c 21 b","P -2bc -2c","29","","","","- C22 H8 N2 O16 Ru6 -","- C22 H8 N2 O16 Ru6 -","- C88 H32 N8 O64 Ru24 -","4","1","","Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Daniel Miguel; Víctor Riera","Hexaruthenium Carbonyl Cluster Complexes with Basal Edge-Bridged Square Pyramidal Metallic Skeleton: Efficient Synthesis of 2-Imidopyridine Derivatives and Determination of Their Reactive Sites in Carbonyl Substitution Reactions","Inorganic Chemistry","2004","43","","5450","5458","10.1021/ic0492789","","","1.5418","CuKα","","0.0659","0.0642","","","0.1238","0.125","","","","","","1.095","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4331055","9.2105","0.0009","13.5475","0.001","31.361","0.002","90","","90","","90","","3913.2","0.5","200","2","200","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","","","","- C32 H38 F12 N6 Ni O6 P2 -","- C32 H38 F12 N6 Ni O6 P2 -","- C128 H152 F48 N24 Ni4 O24 P8 -","4","1","","Mihail Atanasov; Peter Comba; Stefan Helmle; Dennis Müller; Frank Neese","Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII-Bispidine Complexes","Inorganic Chemistry","2012","51","","12324","12335","10.1021/ic3016047","","x-ray","0.71073","MoKα","","0.0843","0.0668","","","0.1857","0.1988","","","","","","1.001","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4334359","17.0121","0.0004","18.0594","0.0004","19.6945","0.0006","90","","90","","90","","6050.7","0.3","170","2","170","2","","","","","","","","5","P c 21 b","P -2bc -2c","29","","","","- C44 H97 Ce2 K O11 -","- C44 H97 Ce2 K O11 -","- C176 H388 Ce8 K4 O44 -","4","1","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.0566","0.0477","","","0.1242","0.1318","","","","","","1.053","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334766","12.6211","0.0002","16.2796","0.0002","19.1244","0.0003","90","","90","","90","","3929.42","0.1","150","2","150","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","","","","- C24 H32 F20 N4 O8 Zn2 -","- C24 H32 F20 N4 O8 Zn2 -","- C96 H128 F80 N16 O32 Zn8 -","4","1","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.0488","0.0375","","","0.0941","0.1027","","","","","","1.034","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4510704","6.0197","0.0011","12.929","0.003","20.964","0.004","90","","90","","90","","1631.6","0.6","296","2","296","2","1800000","","","","","","","5","P c 21 b","P -2bc -2c","29","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C48 H104 Cl8 N16 O32 -","8","2","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.1466","0.0907","","","0.1682","0.1946","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"7002048","11.1808","0.001","18.1687","0.0012","18.3719","0.0013","90","","90","","90","","3732.1","0.5","180","","180","","","","","","","","","9","P c 21 b","P -2bc -2c","29","","","","- C36 H33 Cl3 F3 N2 O3 P Pd S -","- C36 H33 Cl3 F3 N2 O3 P Pd S -","- C144 H132 Cl12 F12 N8 O12 P4 Pd4 S4 -","4","1","","Abdellah, Ibrahim; Debono, Nathalie; Canac, Yves; Duhayon, Carine; Chauvin, Remi","Atropochiral (C,C)-chelating NHC-ylide ligands: synthesis and resolution of palladium(ii) complexes thereof","Dalton Transactions","2009","","35","7196","","10.1039/b907019b","","","0.71073","MoKα","","0.0485","0.0357","","0.0473","0.0405","0.0405","","","","","","1.0995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019336","8.3851","0.0007","11.5345","0.0006","12.4214","0.001","90","","90","","90","","1201.37","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P c 21 b","P -2bc -2c","29","Compound 12","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","x-ray","0.71073","MoKα","","0.0568","0.0444","","","0.088","0.0929","","","","","","1.068","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7021718","8.413","0.0002","18.193","0.0005","28.491","0.0009","90","","90","","90","","4360.8","0.2","293","2","293","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","[CuH4(py33233)]","","","- C21 H53 Cl6 Cu N7 O28 -","- C21 H53 Cl6 Cu N7 O28 -","- C84 H212 Cl24 Cu4 N28 O112 -","4","1","","Belda, Raquel; Blasco, Salvador; Verdejo, Begoña; Jiménez, Hermas R; Doménech-Carbó, Antonio; Soriano, Conxa; Latorre, Julio; Terencio, Carmen; García-España, Enrique","Homo- and heterobinuclear Cu(2+) and Zn(2+) complexes of abiotic cyclic hexaazapyridinocyclophanes as SOD mimics.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11194","11204","10.1039/c3dt51012c","","","0.71073","MoKα","","0.0861","0.0593","","","0.142","0.1598","","","","","","1.055","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7026324","10.9746","0.0002","15.6196","0.0003","24.5741","0.0005","90","","90","","90","","4212.46","0.14","150","2","150","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","aja0505","","","- C44 H34 Cl2 Fe2 N8 O12 -","- C44 H34 Cl2 Fe2 N8 O12 -","- C176 H136 Cl8 Fe8 N32 O48 -","4","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Prabaharan, Ravi; Singh, Neha","The co-ordination chemistry of bis(2,2'-bipyrid-6'-yl)ketone with first row transition metals: the reversible interconversion of a mononuclear complex and a dinuclear hemiketal containing species.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8925","8936","10.1039/c0dt00344a","","","0.71073","MoKα","","0.0747","0.0535","","","0.1211","0.1321","","","","","","1.026","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7033291","13.2413","0.0005","15.7217","0.0006","25.7987","0.0011","90","","90","","90","","5370.7","0.4","100","2","100","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","C6, CuItpyps","Iodo tris(2-pyridyl)phosphinesulfide copper(I)","","- C15.66667 H13 Cu I N3.33333 P S -","- C15.6667 H13 Cu I N3.33333 P S -","- C188 H156 Cu12 I12 N40 P12 S12 -","12","3","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.0551","0.0376","","","0.0796","0.0822","","","","","","0.747","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7051454","7.655","0.009","15.928","0.017","21.47","0.02","90","","90","","90","","2618","5","293","2","293","2","","","","","","","","8","P c 21 b","","","","","","- C17 H25 Cl F6 N3 P Ru S4 -","- C17 H25 Cl F6 N3 P Ru S4 -","- C68 H100 Cl4 F24 N12 P4 Ru4 S16 -","4","1","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277928","2022-09-16","20:08:55",""
"7054989","8.1781","0.0002","15.6069","0.0003","28.0616","0.0006","90","","90","","90","","3581.64","0.14","150","2","150","2","","","","","","","synthesis as described","6","P c 21 b","P -2bc -2c","29","","","","- C13 H21 Cl3 N4 Ni O -","- C13 H21 Cl3 N4 Ni O -","- C104 H168 Cl24 N32 Ni8 O8 -","8","2","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0208","0.0192","","","0.0462","0.0467","","","","","","1.034","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7057656","12.6601","0.0015","16.2779","0.0014","22.668","0.003","90","","90","","90","","4671.4","0.9","150","2","150","2","","","","","","","","9","P c 21 b","P -2bc -2c","29","","","","- C40 H40 Cl2 Cu2 Hg N6 Na2 O8 S2 -","- C40 H40 Cl2 Cu2 Hg N6 Na2 O8 S2 -","- C160 H160 Cl8 Cu8 Hg4 N24 Na8 O32 S8 -","4","1","","Roy, Sourav; Halder, Soumi; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Unprecedented photosensitivity of heterotrimetallic copper(ii)/sodium/mercury(ii) coordination polymer based thin film semiconductor device","New Journal of Chemistry","2018","42","18","15295","","10.1039/C8NJ02261E","","","0.71073","MoKα","","0.1794","0.0848","","","0.194","0.2351","","","","","","0.963","","","","has coordinates,has disorder","230472","2020-10-21","18:00:00",""
"7112962","6.452","0.0005","10.736","0.001","29.278","0.004","90","","90","","90","","2028","0.4","150","2","150","2","","","","","","","","5","P c 21 b","P -2bc -2c","29","","","","- C22 H22 Cl N3 Pd -","- C22 H22 Cl N3 Pd -","- C88 H88 Cl4 N12 Pd4 -","4","1","","Annibale, Vincent T.; Lund, Liisa M.; Song, Datong","Unusual transmetallation-induced formation of a C2-symmetric tetrapallada-macrocycle.","Chemical communications (Cambridge, England)","2010","46","43","8261","8263","10.1039/c0cc03314f","","","0.71073","MoKα","","0.0519","0.037","","","0.0704","0.0769","","","","","","1.054","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7155166","9.7693","0.0004","16.4783","0.0007","19.4329","0.0007","90","","90","","90","","3128.3","0.2","296","2","296","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","2-(4-methoxyphenyl)-2-phenyl-, 1-ethyl hydrazinecarboxylic acid ester","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C128 H144 N16 O24 -","8","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1627","0.0681","","","0.1709","0.2424","","","","","","1.005","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7203230","6.9997","0.0004","16.426","0.0009","20.3312","0.0018","90","","90","","90","","2337.6","0.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C10 H26 Na4 O20 -","- C10 H2 Na4 O20 -","- C40 H8 Na16 O80 -","4","1","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0949","0.0589","","","0.1404","0.1582","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7213215","4.47","0.001","12.388","0.001","24.375","0.001","90","","90","","90","","1349.8","0.3","173","0.1","173","2","","","","","","","","5","P c 21 b","P -2bc -2c","29","","","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C68 H48 Br4 N4 O4 -","4","1","","Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard","Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1259","","10.1039/a908874a","","","0.71073","MoKα","","0.0769","0.0453","","","0.0934","0.1095","","","","","","1.051","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7225893","7.526","0.003","11.789","0.004","30.882","0.006","90","","90","","90","","2740","1.5","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","bis(1-benzyl-3-iodopyridinium iodide)","","","- C12 H11 I2 N -","- C12 H11 I2 N -","- C96 H88 I16 N8 -","8","2","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fusco, Nadia; La Rocca, Mario Vincenzo; Linati, Laura; Lo Presti, Eliana; Mella, Massimo; Metrangolo, Pierangelo; Miljkovic, Ana","Novel hydrogen- and halogen-bonding anion receptors based on 3-iodopyridinium units","RSC Adv.","2016","","","","","10.1039/C6RA14703H","","","0.71073","MoKα","","0.0403","0.0323","","","0.063","0.0677","","","","","","1.081","","","","has coordinates","193656","2020-10-21","18:00:00",""
"9009385","5.3356","","18.6722","","14.0546","","90","","90","","90","","1400.22","","","","","","","","","","","","Ilimaussaq, South Greenland","5","P c 21 b","P -2bc -2c","29","","","Vitusite-(Ce)","- Ce0.55 La0.45 Na3 O8 P2 -","- Ce0.55 La0.45 Na3 O8 P2 -","- Ce4.4 La3.6 Na24 O64 P16 -","8","2","","Mazzi, F.; Ungaretti, L.","The crystal structure of vitusite from Ilimaussaq (South Greenland): Na3REE(PO4)2","Neues Jahrbuch fur Mineralogie, Monatshefte","1994","1994","","49","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9012693","5.494","","15.461","","5.551","","90","","90","","90","","471.517","","","","","","","","","","","","Synthetic","4","P c 21 b","P -2bc -2c","29","","","Lueshite","- Li0.02 Na0.98 Nb O3 -","- Li0.02 Na0.98 Nb O3 -","- Li0.16 Na7.84 Nb8 O24 -","8","2","","von der Muhll, R.; Sadel, A.; Hagenmuller, P.","Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98Nb O3 Note: x(O3) corrected to match reported bond lengths","Journal of Solid State Chemistry","1984","51","","176","182","10.1016/0022-4596(84)90331-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""