# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-18T13:20:47+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Faraday discussions') AND volume = 215 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
"1550310","10.1497","0.0004","11.3546","0.0004","29.0077","0.0011","90","","95.69","0.002","90","","3326.5","0.2","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(H)2Rh(PNMeP)2]","","- C23 H56 F3 N2 O3 P4 Rh S -","- C23 H56 F3 N2 O3 P4 Rh S -","- C92 H224 F12 N8 O12 P16 Rh4 S4 -","4","1","","Walsh, Aaron P.; Laureanti, Joseph A.; Katipamula, Sriram; Chambers, Geoffrey M.; Priyadarshani, Nilusha; Lense, Sheri; Bays, J. Timothy; Linehan, John C.; Shaw, Wendy J.","Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO<sub>2</sub> hydrogenation.","Faraday discussions","2019","215","0","123","140","10.1039/c8fd00164b","","","0.71073","MoKα","","0.0434","0.0299","","","0.065","0.0705","","","","","","1.026","","","","has coordinates,has disorder","224593","2020-10-21","18:00:00",""
"1550432","24.9341","0.0005","15.1575","0.0003","22.1525","0.0004","90","","114.583","0.0006","90","","7613.4","0.3","193","2","193","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","[Pd(PNP-C1-Me)2](BF4)2","","- C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.98 -","- C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.978 -","- C262.24 H308.48 B8 Cl28.48 F32 N8 O33.52 P16 Pd3.912 -","4","0.5","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0529","0.0442","","","0.1134","0.1187","","","","","","1.071","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550433","12.3522","0.0003","26.1118","0.0006","13.6448","0.0003","90","","113.138","0.001","90","","4046.96","0.16","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[PdCl(PNP-C2-Me)](PF6)","","- C35 H30 Cl3 F6 N O4.4 P3 Pd -","- C35 H30 Cl3 F6 N O4.4 P3 Pd -","- C140 H120 Cl12 F24 N4 O17.6 P12 Pd4 -","4","1","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0424","0.0387","","","0.1017","0.1033","","","","","","1.088","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550434","12.9976","0.0002","18.6574","0.0003","14.6755","0.0002","90","","105.169","0.0005","90","","3434.83","0.09","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[PdCl2(PNP-C1-Me)]","","- C33 H38 Cl2 N2 O4 P2 Pd -","- C33 H38 Cl2 N2 O4 P2 Pd -","- C132 H152 Cl8 N8 O16 P8 Pd4 -","4","1","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0287","0.0249","","","0.0578","0.0598","","","","","","1.125","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550435","11.7989","0.0002","15.5485","0.0002","23.5593","0.0003","90","","101.232","0.0004","90","","4239.29","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[NiCl2(PNP-C1-iPr)]","","- C35 H41 Cl8 N Ni O4 P2 -","- C35 H41 Cl8 N Ni O4 P2 -","- C140 H164 Cl32 N4 Ni4 O16 P8 -","4","1","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0269","0.0242","","","0.0619","0.0637","","","","","","1.035","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550436","12.8814","0.0002","18.6698","0.0003","14.5746","0.0002","90","","105.006","0.0005","90","","3385.56","0.09","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[NiCl2(PNP-C1-Me)]","","- C33 H38 Cl2 N2 Ni O4 P2 -","- C33 H38 Cl2 N2 Ni O4 P2 -","- C132 H152 Cl8 N8 Ni4 O16 P8 -","4","1","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0254","0.0216","","","0.0519","0.0537","","","","","","1.063","","","","has coordinates","224592","2020-10-21","18:00:00",""