# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T09:19:37+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 'Materials Horizons') AND volume = 5 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
"1549262","17.8904","0.0016","17.8904","0.0016","12.7999","0.0013","90","","90","","120","","3547.9","0.6","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C24 H106 Ca Cu6 N6 O66 -","- C24 H24 Ca Cu6 N6 O66 -","- C48 H48 Ca2 Cu12 N12 O132 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0474","0.041","","","0.1184","0.1284","","","","","","1.099","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549263","17.9504","0.0013","17.9504","0.0013","12.5603","0.0011","90","","90","","120","","3504.9","0.5","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C48.4 H80.2 Ca Cu6 N11 O37.6 -","- C38.4017 H6 Ca Cu6 N6 O37.6002 -","- C76.8034 H12 Ca2 Cu12 N12 O75.2004 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0737","0.0613","","","0.1906","0.2052","","","","","","0.953","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549264","17.9607","0.0011","17.9607","0.0011","12.6765","0.0008","90","","90","","120","","3541.4","0.4","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H83 Ca Cu6 N9 O54 -","- C36.0006 H40.0008 Ca Cu6 N6 O52.5006 -","- C72.0012 H80.0016 Ca2 Cu12 N12 O105.001 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0578","0.0462","","","0.1379","0.1531","","","","","","0.891","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549265","17.9035","0.0009","17.9035","0.0009","12.6421","0.0007","90","","90","","120","","3509.3","0.3","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H89 Ca Cu6 N9 O51 -","- C30.0003 H24 Ca Cu6 N6 O49.0002 -","- C60.0006 H48 Ca2 Cu12 N12 O98.0004 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0558","0.0491","","","0.1525","0.1607","","","","","","1.043","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549266","17.997","0.003","17.997","0.003","12.861","0.002","90","","90","","120","","3607.5","1","90","2","90","2","","","","","","","","7","P 63","P 6c","173","","","","- C37 H90 Ca Cl Cu6 N7 O50 -","- C36.9989 Ca Cl0.9999 Cu6 N6.9999 O47.0001 -","- C73.9978 Ca2 Cl1.9998 Cu12 N13.9998 O94.0002 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.1091","0.0612","","","0.1693","0.2015","","","","","","1.009","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549880","9.2198","0.0005","14.0236","0.0008","15.7941","0.0008","90","","105.723","0.005","90","","1965.69","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B Cd N8 O5 -","- C17 H16 B Cd N8 O5 -","- C68 H64 B4 Cd4 N32 O20 -","4","1","","Wen, Tian; Zheng, Yao; Xu, Chaochen; Zhang, Jian; Jaroniec, Mietek; Qiao, Shi-Zhang","A boron imidazolate framework with mechanochromic and electrocatalytic properties","Materials Horizons","2018","5","6","1151","","10.1039/C8MH00859K","","","0.71073","MoKα","","0.0421","0.0314","","","0.0652","0.0694","","","","","","1.054","","","","has coordinates","230979","2020-10-21","18:00:00",""