# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-20T09:55:37+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 'Nature Synthesis') 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
"1570023","33.748","0.0005","33.748","0.0005","33.748","0.0005","90","","90","","90","","38436.5","1","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H13 Cl In3 N2 O14.5 -","- C24 H10 Cl In3 N2 O14.5 -","- C576 H240 Cl24 In72 N48 O348 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0427","0.0427","","","0.1181","0.1181","","","","","","1.156","","","","has coordinates,has disorder","286612","2023-10-02","17:11:52",""
"1570024","33.8796","0.0013","33.8796","0.0013","33.8796","0.0013","90","","90","","90","","38888","3","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C26.67 H14.86 Br In3 N1.33 O14.43 -","- C26.6662 H11.9994 Br0.7386 In3 N1.3334 O14.428 -","- C639.989 H287.986 Br17.7264 In72 N32.0016 O346.272 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0209","0.0202","","","0.0584","0.0591","","","","","","1.012","","","","has coordinates,has disorder","286613","2023-10-02","17:49:15",""
"1570025","44.7093","0.0005","44.7093","0.0005","44.7093","0.0005","90","","90","","90","","89370.4","1.7","100","0.1","100","0.1","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C43.5 H38 Co3 N3 O15 S6 -","- C35.5 H10 Co3 N O15 S6 -","- C852 H240 Co72 N24 O360 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0525","0.038","","","0.105","0.1131","","","","","","1.026","","","","has coordinates,has disorder","286614","2023-10-02","17:51:36",""
"1570026","44.876","0.001","44.876","0.001","44.876","0.001","90","","90","","90","","90374","3","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C49 H42 Co3 N3.33 O15 S6 -","- C41 H14 Co3 N1.33333 O15 S6 -","- C984 H336 Co72 N32 O360 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0486","0.039","","","0.1098","0.1165","","","","","","1.044","","","","has coordinates,has disorder","286615","2023-10-02","17:53:30",""
"1570027","44.6247","0.0005","44.6247","0.0005","44.6247","0.0005","90","","90","","90","","88864","1.7","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C41 H18 Fe3 N1.33 O15 S6 -","- C41 H14 Fe3 N1.33333 O15 S6 -","- C984 H336 Fe72 N32 O360 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0457","0.0374","","","0.108","0.114","","","","","","1.028","","","","has coordinates,has disorder","286616","2023-10-02","17:55:21",""
"1570028","45.13","0.003","45.13","0.003","45.13","0.003","90","","90","","90","","91917","11","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C60 H49.33 Co3 N6 O14.67 S6 -","- C52.3325 H21.9998 Co3 N4 O14.6666 S6 -","- C1255.98 H527.995 Co72 N96 O351.998 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.1267","0.0949","","","0.2567","0.2908","","","","","","1.267","","","","has coordinates,has disorder","286617","2023-10-02","17:57:10",""
"1570029","44.7671","0.0006","44.7671","0.0006","44.7671","0.0006","90","","90","","90","","89717","2","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C54.5 H44 Co3 N4.33 O14 S6 -","- C46.5 H18 Co3 N2.33333 O14 S6 -","- C1116 H432 Co72 N56 O336 S144 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0499","0.0438","","","0.1124","0.1207","","","","","","1.103","","","","has coordinates,has disorder","286618","2023-10-02","17:59:16",""
"1570030","57.312","0.003","57.312","0.003","57.312","0.003","90","","90","","90","","188251","17","100","0.1","100","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C58 H34.25 Br1.12 In3.12 N8 O15 -","- C58 H34.25 Br0.125 In3.125 N8 O15 -","- C1392 H822 Br3 In75 N192 O360 -","24","0.25","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.115","0.0854","","","0.2546","0.2807","","","","","","1.014","","","","has coordinates,has disorder","286619","2023-10-02","18:01:01",""
"1570031","56.6012","0.0006","56.6012","0.0006","56.6012","0.0006","90","","90","","90","","181333","3","100","0.1","100","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C68.02 H38.13 Co3 N7.57 O14.82 -","- C68.017 H38.132 Co3 N7.56933 O14.823 -","- C1632.41 H915.168 Co72 N181.664 O355.752 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0663","0.0525","","","0.1328","0.1525","","","","","","1.101","","","","has coordinates,has disorder","286620","2023-10-02","18:02:52",""
"1570032","56.942","0.001","56.942","0.001","56.942","0.001","90","","90","","90","","184628","6","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C82 H48.8 Br In3 N8.67 O13.4 -","- C82 H48 Br0.6 In3 N8.66667 O13.4 -","- C1968 H1152 Br14.4 In72 N208 O321.6 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0887","0.064","","","0.1716","0.1997","","","","","","1.013","","","","has coordinates,has disorder","286621","2023-10-02","18:04:47",""
"1570033","56.4345","0.0008","56.4345","0.0008","56.4345","0.0008","90","","90","","90","","179736","4","100","0.1","100","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C65.19 H59.41 N8.72 Ni3 O15.46 -","- C57.18 H30.48 N6.72 Ni3 O15.46 -","- C1372.32 H731.52 N161.28 Ni72 O371.04 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.1414","0.1086","","","0.2881","0.3351","","","","","","1.374","","","","has coordinates,has disorder","286622","2023-10-02","18:06:39",""
"1570034","57.3644","0.0011","57.3644","0.0011","57.3644","0.0011","90","","90","","90","","188768","6","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C92 H54.4 Br1.05 In3.05 N10.67 O13 -","- C92 H54.4 Br0.05 In3.05 N10.6667 O13 -","- C2208 H1305.6 Br1.2 In73.2 N256 O312 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.1074","0.0874","","","0.2365","0.2677","","","","","","1.055","","","","has coordinates,has disorder","286623","2023-10-02","18:08:44",""
"1570035","57.8453","0.0008","57.8453","0.0008","57.8453","0.0008","90","","90","","90","","193555","5","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C98.03 H60.19 Br1.06 In3.06 N4.67 O13 -","- C98 H60.185 Br0.065 In3.065 N4.66667 O13 -","- C2352 H1444.44 Br1.56 In73.56 N112 O312 -","24","0.5","","Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed","Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents","Nature Synthesis","2023","","","1","","10.1038/s44160-023-00401-8","","","1.54178","CuKα","","0.0966","0.0689","","","0.1999","0.2358","","","","","","1.017","","","","has coordinates,has disorder","286624","2023-10-02","18:12:01",""