# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T12:44:49+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c n n' 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
"1526220","13.05","","13.123","","13.241","","90","","90","","90","","2267.59","","","","","","","","","","","","","7","P c n n","-P 2ab 2c","52","","(Na1.2 Ca0.8) (Sr0.52 Ca0.48) (Si5.2 Al4.8 O20) (H2 O)6","","- Al4.8 Ca1.28 H12 Na1.2 O26 Si5.2 Sr0.52 -","- Al4.8 Ca1.28 Na1.2 O26 Si5.2 Sr0.52 -","- Al19.2 Ca5.12 Na4.8 O104 Si20.8 Sr2.08 -","4","0.5","","Gurbanova, O.A.; Rastsvetaeva, R.K.; Pekov, I.V.; Turchkova, A.G.","Crystal structure of strontium-rich thomsonite","Doklady Akad. Nauk","2001","376","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000478","11.33166","0.00016","12.70965","0.00019","8.02928","0.00015","90","","90","","90","","1156.39","0.03","","","","","","","","","","","","4","P c n n","-P 2ab 2c","","","","","- C6 Al Li3 O13 -","","","","","","Alexander Missyul","?","To be published in Solids","","","","","","","","x-ray","0.9525","","","","","","","","","0.04109","","2.73","","","","","","","","289154","2024-01-19","09:40:21","2024-06-19"
"3000479","11.13475","0.00016","14.13747","0.00032","6.9166","0.00012","90","","90","","90","","1088.79","0.03","","","","","","","","","","","","4","P c n n","-P 2ab 2c","","","","","- C6 Al Li3 O12 -","","","","","","Alexander Missyul","?","To be published in Solids","","","","","","","","x-ray","0.9525","","","","","","","","","0.02328","","2.45","","","","","","","","289155","2024-01-19","09:48:32","2024-06-19"
"4061116","8.557","0.0003","16.136","0.0006","24.976","0.0011","90","","90","","90","","3448.6","0.2","298","2","298","2","","","","","","","","6","P c n n","-P 2ab 2c","52","","","","- C26 H40 Cr3 N2 O10 Te2 -","- C26 H40 Cr3 N2 O10 Te2 -","- C104 H160 Cr12 N8 O40 Te8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049515f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061117","8.552","0.0002","16.345","0.0004","25.335","0.0009","90","","90","","90","","3541.39","0.17","298","2","298","2","","","","","","","","7","P c n n","-P 2ab 2c","52","","","","- C26 H40 Cr Mo2 N2 O10 Te2 -","- C26 H40 Cr Mo2 N2 O10 Te2 -","- C104 H160 Cr4 Mo8 N8 O40 Te8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049515f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4308789","11.243","0.0015","12.025","0.0018","21.839","0.002","90","","90","","90","","2952.6","0.7","293","2","293","2","","","","","","","","5","P c n n","-P 2ab 2c","52","","","","- C30 H32 N6 O4 Ru -","- C30 H32 N6 O4 Ru -","- C120 H128 N24 O16 Ru4 -","4","0.5","","Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Francisco A. Urbanos; Mark Niemeyer; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri","Unusual Monodentate Binding Mode of 2,2'-Dipyridylamine (L) in Isomeric trans-(acac)2RuII(L)2, trans-[(acac)2RuIII(L)2]ClO4, and cis-(acac)2RuII(L)2 (acac = Acetylacetonate). Synthesis, Structures, and Spectroscopic, Electrochemical, and Magnetic Aspects","Inorganic Chemistry","2005","44","","1571","1579","10.1021/ic049219v","","","0.71073","MoKα","","0.1929","0.0539","","","0.086","0.1162","","","","","","0.992","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4320385","12.318","0.003","13.014","0.002","18.675","0.002","90","","90","","90","","2993.7","0.9","293","2","293","2","","","","","","","aqueous synthesis","5","P c n n","-P 2ab 2c","52","","catena-(mu-oxalato)-bis(3-aminopyridine)-cobalt(II)-water (1/1.5)","","- C12 H15 Co N4 O5.5 -","- C12 H12 Co N4 O5.5 -","- C96 H96 Co8 N32 O44 -","8","1","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.2433","0.0859","","0.157","0.1172","","","","1.754","1.309","1.309","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320386","12.387","0.001","12.935","0.003","18.632","0.002","90","","90","","90","","2985.3","0.8","293","2","293","2","","","","","","","aqueous synthesis","5","P c n n","-P 2ab 2c","52","","catena-(mu-oxalato)-bis(3-aminopyridine)-copper(II)-water (1/1.5)","","- C12 H15 Cu N4 O5.5 -","- C12 H12 Cu N4 O5.5 -","- C96 H96 Cu8 N32 O44 -","8","1","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.074","0.0631","","0.1968","0.193","","","","1.216","1.303","1.303","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320755","13.107","0.003","19.339","0.004","24.883","0.008","90","","90","","90","","6307","3","293","2","293","2","","","","","","","","5","P c n n","-P 2ab 2c","52","","","","- C28 H21 Ba2 O10.5 S4 -","- C28 H20 Ba2 O10.5 S4 -","- C224 H160 Ba16 O84 S32 -","8","1","","Ramaswamy Murugavel; Kanhayalal Baheti; Ganapathi Anantharaman","Reactions of 2-Mercaptobenzoic Acid with Divalent Alkaline Earth Metal Ions: Synthesis, Spectral Studies, and Single-Crystal X-ray Structures of Calcium, Strontium, and Barium Complexes of 2,2'-Dithiobis(benzoic acid),","Inorganic Chemistry","2001","40","","6870","6878","10.1021/ic010519b","","","0.71073","MoKα","","0.1943","0.0794","","","0.1287","0.1568","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"7107053","11.8539","0.0002","13.1384","0.0003","18.3488","0.0004","90","","90","","90","","2857.67","0.1","150","","150","","","","","","","","","5","P c n n","-P 2ab 2c","52","","","","- C23 H25 B2 Br6 N -","- C23 H25 B2 Br6 N -","- C92 H100 B8 Br24 N4 -","4","0.5","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.0578","0.0356","","0.074","0.0676","0.074","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115907","17.53","0.003","20.037","0.003","21.05","0.003","90","","90","","90","","7394","2","293","2","293","2","","","","","","","","5","P c n n","-P 2ab 2c","52","","","","- C21 H15 Cu3 N3 O26.5 -","- C21 H15 Cu3 N3 O26.5 -","- C168 H120 Cu24 N24 O212 -","8","1","","Ivan Burneo; Kyriakos C. Stylianou; Inhar Imaz; Daniel Maspoch","The influence of the enantiomeric ratio of an organic ligand on the structure and chirality of metal-organic frameworks","Chem.Commun.","2014","50","","13829","","10.1039/C4cc06190J","","","0.71073","MoKα","","0.0716","0.0659","","","0.2013","0.2084","","","","","","1.048","","","","has coordinates","180273","2020-10-21","18:00:00",""
"9004611","4.9652","","11.7831","","5.6462","","90","","90","","90","","330.333","","","","","","","","","","","","northwestern Argentina","5","P c n n","-P 2ab 2c","52","","","Bismutotantalite","- Bi0.98 Nb0.11 O4 Sb0.02 Ta0.89 -","- Bi0.98 Nb0.11 O4 Sb0.02 Ta0.89 -","- Bi3.92 Nb0.44 O16 Sb0.08 Ta3.56 -","4","0.5","","Galliski, M. A.; Marquez-Zavalia M F; Cooper, M. A.; Cerny, P.; Hawthorne, F. C.","Bismutotantalite from northwestern Argentina: Description and crystal structure Sample: [Bi] phase","The Canadian Mineralogist","2001","39","","103","110","10.2113/gscanmin.39.1.103","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004612","4.9471","","11.7878","","5.6048","","90","","90","","90","","326.846","","","","","","","","","","","","northwestern Argentina","5","P c n n","-P 2ab 2c","52","","","Bismutotantalite","- Bi0.68 Nb0.11 O4 Sb0.32 Ta0.89 -","- Bi0.68 Nb0.11 O4 Sb0.32 Ta0.89 -","- Bi2.72 Nb0.44 O16 Sb1.28 Ta3.56 -","4","0.5","","Galliski, M. A.; Marquez-Zavalia M F; Cooper, M. A.; Cerny, P.; Hawthorne, F. C.","Bismutotantalite from northwestern Argentina: Description and crystal structure Sample: [Bi,Sb] phase","The Canadian Mineralogist","2001","39","","103","110","10.2113/gscanmin.39.1.103","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""