# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-11T01:24:31+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 'Science Advances') AND volume = 2 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
"1548340","7.4477","","9.5989","","9.6888","","90","","90","","90","","692.65","","293","","293","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Cl16 Cu16 O8 -","- Cl16 Cu16 O8 -","- Cl16 Cu16 O8 -","1","0.03125","","Li Zhao; Maria Teresa Fernandez-Diaz; Liu Hao Tjeng; Alexander C. Komarek","Oxyhalides: A new class of high-TC multiferroic materials","Science Advances","2016","2","","1600353","","10.1126/sciadv.1600353","","x-ray","0.71069","MoKα","","0.0308","0.0256","","","0.0689","0.072","","","","2.53","2.53","2.39","","","","has coordinates","203825","2020-10-21","18:00:00",""
"1548341","42.105","0.008","12.613","0.003","24.741","0.005","90","","90.15","0.03","90","","13139","5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C79 H64.5 B Cl2 F4 O0.5 Os P3 -","- C79 H64.5 B Cl2 F4 O0.25 Os P3 -","- C632 H516 B8 Cl16 F32 O2 Os8 P24 -","8","1","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.038","0.0326","","","0.0819","0.0853","","","","","","1.084","","","","has coordinates","203826","2020-10-21","18:00:00",""
"1548342","13.14","0.003","18.625","0.004","26.176","0.005","90","","96.12","0.03","90","","6370","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H74 B F4 Os P3 -","- C78 H74 B F4 Os P3 -","- C312 H296 B4 F16 Os4 P12 -","4","1","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.0522","0.0368","","","0.0737","0.1101","","","","","","1.216","","","","has coordinates","203827","2020-10-21","18:00:00",""
"1548343","9.938","0.002","24.307","0.005","25.357","0.005","108.68","0.03","96.47","0.03","96.12","0.03","5699","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68.5 H59 B Cl F4 Os P3 -","- C68.5 H59 B Cl F4 Os P3 -","- C274 H236 B4 Cl4 F16 Os4 P12 -","4","2","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.0796","0.0494","","","0.0993","0.1086","","","","","","1.013","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548581","13.6605","0.0017","14.7195","0.0018","17.277","0.002","86.231","0.005","68.978","0.005","80.007","0.005","3193.5","0.7","140","","143.99","","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Dong Shi; Xiang Qin; Yuan Li; Yao He; Cheng Zhong; Jun Pan; Huanli Dong; Wei Xu; Tao Li; Wenping Hu; Jean-Luc Bredas; Osman M. Bakr","Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering","Science Advances","2016","2","","1501491","","10.1126/sciadv.1501491","","","1.54178","CuKα","","0.0445","0.0414","","","0.1052","0.1079","","","","","","1.0467","","","","has coordinates","301779","2025-08-18","16:06:54",""