# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T12:38:28+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b n 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
"1504932","12.044","0.003","17.241","0.006","21.688","0.007","90","","90","","90","","4504","2","293","2","293","2","","","","","","","","4","P b n b","-P 2bc 2ab","56","","","","- C26 H26 N2 O5 -","- C26 H26 N2 O5 -","- C208 H208 N16 O40 -","8","1","","Lévesque, François; Bélanger, Guillaume","A versatile cascade of intramolecular Vilsmeier-Haack and azomethine ylide 1,3-dipolar cycloaddition toward tricyclic cores of alkaloids.","Organic letters","2008","10","21","4939","4942","10.1021/ol802010n","","","0.71073","MoKα","","0.2386","0.0821","","","0.1736","0.2183","","","","","","0.907","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"2221920","7.2823","0.0002","13.2249","0.0004","25.3798","0.0008","90","","90","","90","","2444.27","0.13","293","2","293","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","Hexaaquacadmium(II) dipicrate monohydrate","","- C12 H20 Cd N6 O22 -","- C12 H20 Cd N6 O22 -","- C48 H80 Cd4 N24 O88 -","4","0.5","BQ2135","Natarajan, S.; Moovendaran, K.; Dhas, S. A. Martin Britto; Suresh, J.; Lakshman, P. L. Nilantha","Hexaaquacadmium(II) dipicrate monohydrate","Acta Crystallographica Section E","2009","65","6","m620","","10.1107/S1600536809015049","","","0.71073","MoKα","","0.0488","0.0273","","","0.0742","0.0835","","","","","","1.164","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226098","7.4608","0.0002","7.7278","0.0002","31.694","0.002","90","","90","","90","","1827.34","0.13","298","2","298","2","","","","","","","","6","P b n b","-P 2bc 2ab","56","","4-Sulfamoylanilinium chloride","","- C6 H9 Cl N2 O2 S -","- C6 H9 Cl N2 O2 S -","- C48 H72 Cl8 N16 O16 S8 -","8","1","DN2568","Zaouali Zgolli, Donia; Boughzala, Habib; Driss, Ahmed","4-Sulfamoylanilinium chloride","Acta Crystallographica Section E","2010","66","6","o1488","","10.1107/S1600536810019471","","","0.71073","MoKα","","0.0733","0.0419","","","0.1404","0.1822","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"4038692","7.7745","0.0004","14.5862","0.0007","16.6756","0.0012","90","","90","","90","","1891.02","0.19","163","","163","","","","","","","","","3","P b n b","-P 2bc 2ab","56","","","","- C26 H16 N4 -","- C26 H16 N4 -","- C104 H64 N16 -","4","0.5","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.1226","0.0625","","","0.1343","0.1764","","","","","","0.971","","","","has coordinates","255298","2020-10-21","18:00:00",""
"4065544","12.6776","0.0005","14.7608","0.0006","20.8701","0.0005","90","","90","","90","","3905.5","0.2","120","2","120","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","","","- C21 H26 Cl Fe0.5 N2 -","- C21 H26 Cl Fe0.5 N2 -","- C168 H208 Cl8 Fe4 N16 -","8","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Stylianides, Neoklis; Wesolek, Marcel","Aminolysis of Bis[bis(trimethylsilyl)amido]iron and -cobalt as a Versatile Route to N-Heterocyclic Carbene Complexes","Organometallics","2011","30","24","6514","","10.1021/om200951m","","","0.71073","MoKα","","0.093","0.0516","","","0.1032","0.1184","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300804","8.481","0.0009","14.7704","0.0014","18.769","0.002","90","","90","","90","","2351.2","0.4","160","2","160","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","","","- C22 H26 Fe N6 O8 -","- C22 H26 Fe N6 O8 -","- C88 H104 Fe4 N24 O32 -","4","0.5","","Lionel Salmon; Azzedine Bousseksou; Bruno Donnadieu; Jean-Pierre Tuchagues","Two Novel Iron(II) Materials Based on Dianionic N4O2 Schiff Bases: Structural Properties and Spin-Crossover Characteristics in the Series [Fe(3-X,5-NO2-sal-N(1,4,7,10)] (X = H, 3-MeO, 3-EtO)","Inorganic Chemistry","2005","44","","1763","1773","10.1021/ic048387k","","","0.71073","MoKα","","0.0382","0.0293","","","0.0728","0.0766","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300805","8.5317","0.0008","14.4674","0.0015","18.814","0.002","90","","90","","90","","2322.2","0.4","100","2","100","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","","","- C22 H26 Fe N6 O8 -","- C22 H26 Fe N6 O8 -","- C88 H104 Fe4 N24 O32 -","4","0.5","","Lionel Salmon; Azzedine Bousseksou; Bruno Donnadieu; Jean-Pierre Tuchagues","Two Novel Iron(II) Materials Based on Dianionic N4O2 Schiff Bases: Structural Properties and Spin-Crossover Characteristics in the Series [Fe(3-X,5-NO2-sal-N(1,4,7,10)] (X = H, 3-MeO, 3-EtO)","Inorganic Chemistry","2005","44","","1763","1773","10.1021/ic048387k","","","0.71073","MoKα","","0.0651","0.0476","","","0.1052","0.1122","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332559","4.9555","0.0001","5.5854","0.0002","12.7299","0.0003","90","","90","","90","","352.344","0.017","293","2","293","2","","","","","","","","2","P b n b","-P 2bc 2ab","56","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Cornei, Nicoleta; Tancret, Nathalie; Abraham, Francis; Mentré, Olivier","New ε-Bi2O3Metastable Polymorph","Inorganic Chemistry","2006","45","13","4886","4888","10.1021/ic0605221","","","0.71073","MoKα","","0.0434","0.0312","","","0.0742","0.0784","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"7005780","11.376","0.005","20.119","0.005","23.566","0.005","90","0.005","90","0.005","90","0.005","5394","3","293","2","293","2","","","","","","","","7","P b n b","-P 2bc 2ab","56","[Re(CO)3{MeOCH2C(pz)3}]Br (2)","","","- C15 H14 Br Cl0 N6 O4 Re -","- C17 H11 Br N6 O5.67 Re -","- C136 H88 Br8 N48 O45.36 Re8 -","8","1","","Maria, Leonor; Cunha, Susana; Videira, Margarida; Gano, Lurdes; Paulo, António; Santos, Isabel C.; Santos, Isabel","Rhenium and technetium tricarbonyl complexes anchored by pyrazole-based tripods: novel lead structures for the design of myocardial imaging agents.","Dalton transactions (Cambridge, England : 2003)","2007","","28","3010","3019","10.1039/b705226j","","","0.71069","MoKα","","0.2386","0.096","","","0.2431","0.2973","","","","","","0.874","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7032164","15.868","0.0001","21.716","0.0002","28.115","0.0003","90","","90","","90","","9688.13","0.15","150","2","150","2","","","","","","","","8","P b n b","-P 2bc 2ab","56","","","","- C33.2 H26.2 Cl12.6 F I Mn O3 P3 -","- C33.2 H26.2 Cl12.6 F I Mn O3 P3 -","- C265.6 H209.6 Cl100.8 F8 I8 Mn8 O24 P24 -","8","1","","Edwards, Peter G.; Mahon, Mary F.; Newman, Paul D.; Reixach, Elisenda; Zhang, Wenjian","Manganese(i) templates for the construction of benzannulated triphosphamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15646","15655","10.1039/c4dt02203c","","","0.71073","MoKα","","0.0855","0.0708","","","0.1794","0.1888","","","","","","1.116","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7118056","17.7157","0.0006","22.1231","0.0008","25.3814","0.0009","90","","90","","90","","9947.6","0.6","100","2","100","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","","","- C20 H16 Cu N10 O4 -","- C20 H16 Cu N10 O4 -","- C160 H128 Cu8 N80 O32 -","8","1","","Manna, Biplab; Mukherjee, Soumya; Desai, Aamod V.; Sharma, Shivani; Krishna, Rajamani; Ghosh, Sujit K.","A π-electron deficient diaminotriazine functionalized MOF for selective sorption of benzene over cyclohexane.","Chemical communications (Cambridge, England)","2015","51","84","15386","15389","10.1039/c5cc06128h","","","0.71073","MoKα","","0.0814","0.0656","","","0.154","0.1646","","","","","","0.963","","","","has coordinates","170157","2020-10-21","18:00:00",""
"7120769","13.4361","0.0003","14.4172","0.0004","14.9673","0.0004","90","","90","","90","","2899.33","0.13","150","2","150","2","","","","","","","","3","P b n b","-P 2bc 2ab","56","","[η8-Pn*Zr]2(μ-η6:η6-C6H6)","","- C34 H42 Zr2 -","- C34 H42 Zr2 -","- C136 H168 Zr8 -","4","0.5","","Kilpatrick, Alexander Florian Ross; Green, Jennifer; Turner, Zoe; Buffet, Jean-Charles; O’Hare, Dermot","Zirconium arene triple-decker sandwich complexes: Synthesis, electronic structure and bonding","Chem. Commun.","2017","","","","","10.1039/C7CC07083G","","","0.71073","MoKα","","0.0685","0.0378","","","0.0879","0.097","","","","","","0.983","","","","has coordinates","202008","2020-10-21","18:00:00",""
"7120773","13.1736","0.0005","14.3455","0.0006","15.6258","0.0008","90","","90","","90","","2953","0.2","150","2","150.15","","","","","","","","","3","P b n b","-P 2bc 2ab","56","","","","- C35 H44 Zr2 -","- C35 H44 Zr2 -","- C140 H176 Zr8 -","4","0.5","","Kilpatrick, Alexander Florian Ross; Green, Jennifer; Turner, Zoe; Buffet, Jean-Charles; O’Hare, Dermot","Zirconium arene triple-decker sandwich complexes: Synthesis, electronic structure and bonding","Chem. Commun.","2017","","","","","10.1039/C7CC07083G","","","0.71073","MoKα","","0.1158","0.0536","","","0.1106","0.1312","","","","","","1.057","","","","has coordinates,has disorder","202008","2020-10-21","18:00:00",""
"7242724","7.6879","0.0001","16.0216","0.0004","25.5781","0.0006","90","","90","","90","","3150.52","0.12","293","2","293","2","","","","","","","synthesis as described","5","P b n b","-P 2bc 2ab","56","Compound MOF","","","- C31 H30 Co2 N4 O12 -","- C31 H30 Co2 N4 O12 -","- C124 H120 Co8 N16 O48 -","4","0.5","","Ramírez, Daniel J.; Alfonso Herrera, Luis A.; Colorado-Peralta, Raúl; Rodríguez, Rodolfo Peña; Camarillo Reyes, P. K.; Chiñas, Lidia Elena; Sánchez, Mario; Rivera, José María","Highly efficient methyl orange adsorption by UV-012, a new crystalline Co(ii) MOF","CrystEngComm","2021","23","19","3537","3548","10.1039/D0CE00741B","","x-ray","0.71073","MoKα","","0.1092","0.0687","","","0.1972","0.2266","","","","","","1.092","","","","has coordinates","265953","2021-06-05","18:10:11",""
"9000548","9.504","","16.943","","8.937","","90","","90","","90","","1439.09","","","","","","","","","","","","Bastnas mine, Vastmanland, Sweden","5","P b n b","-P 2bc 2ab","56","","","Lanthanite-(Ce)","- C3 H16 Ce La O17 -","- C3 H16 Ce La O17 -","- C12 H64 Ce4 La4 O68 -","4","0.5","","Dal Negro, A.; Rossi, G.; Tazzoli, V.","The crystal structure of lanthanite","American Mineralogist","1977","62","","142","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""