# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T23:13:27+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 'Acta crystallographica Section B, Structural science, crystal engineering and materials') AND volume = 79 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
"2022738","16.5847","0.3","12.3","0.1","16.5847","0.3","90","","58.0757","0.9","90","","2871","8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pigment Orange 13, alpha phase","(4Z,4'Z)-4,4'-((3,3'-dichloro-[1,1'-biphenyl]-4,4'-diyl)bis(hydrazin-2-yl-1-ylidene))bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)","","- C32 H24 Cl2 N8 O2 -","- C32 H24 Cl2 N8 O2 -","- C128 H96 Cl8 N32 O8 -","4","1","","Gorelik, Tatiana E.; Bekő, Sàndor L; Teteruk, Jaroslav; Heyse, Winfried; Schmidt, Martin U.","Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C<sub>32</sub>H<sub>24</sub>Cl<sub>2</sub>N<sub>8</sub>O<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 2","122","137","10.1107/S2052520623000720","","electron","0.0197","","","","","","","","","","","","","","","","","","has coordinates","283571","2023-05-06","10:43:01",""
"2109099","13.3428","0.0004","18.932","0.0005","8.9404","0.0002","90","","90.361","0.002","90","","2258.35","0.1","150","2","423","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","aluminophosphate oxocuprate","sodium alumonophosphate oxocuprate chloride","","- Al8 Cl7 Cu24 Li4.19 Na19.81 O105 P24 -","- Al8 Cl7 Cu24 Li4.192 Na19.808 O105.004 P24 -","- Al8 Cl7 Cu24 Li4.192 Na19.808 O105.004 P24 -","1","0.125","JE5049","Yakubovich, Olga V.; Kiriukhina, Galina V.; Simonov, Sergey V.; Volkov, Anatoly S.; Dimitrova, Olga V.","(Na,Li)~3~(Cl,OH)[Cu~3~OAl(PO~4~)~3~]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure","Acta Crystallographica Section B","2023","79","1","24","31","10.1107/S2052520622011696","","","0.71073","MoKα","","0.0405","0.039","","","0.1089","0.1097","","","","","","1.165","","","","has coordinates,has Fobs","281906","2023-03-16","03:03:17",""
"2109100","7.0815","0.0002","6.6996","0.0002","16.7734","0.0005","90","","101.256","0.0013","90","","780.48","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H5 Nd O8 Se2 -","- H5 Nd O8 Se2 -","- H20 Nd4 O32 Se8 -","4","1","","Murtazoev, Alisher F.; Berdonosov, Peter S.; Aksenov, Sergey M.; Kuznetsov, Alexey N.; Dolgikh, Valery A.; Nelyubina, Yulia V.; Merlino, Stefano","Polytypism of Ln(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O, DFT calculations and order/disorder description.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","176","183","10.1107/S2052520622012227","","x-ray","0.71075","MoKα","","0.0408","0.0376","","","0.0579","0.0608","","","","1.52","1.52","1.55","","","","has coordinates,has Fobs","282433","2023-04-05","16:28:55",""
"2109101","8.5104","0.0012","8.5104","0.0012","5.1975","0.001","90","","90","","90","","376.44","0.1","293","2","293","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","RA5120","Chukanov, Nikita V.; Kazheva, Olga N.; Fischer, Reinhard X.; Aksenov, Sergey M.","Refinement of the crystal structure of fresnoite, Ba<sub>2</sub>TiSi<sub>2</sub>O<sub>8</sub>, from Löhley (Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with pentacoordinated Ti<sup>IV</sup> and a titanyl bond.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","184","194","10.1107/S2052520622012045","","","0.71073","MoKα","","0.0115","0.0115","","","0.0267","0.0267","","","","","","1.196","","","","has coordinates,has Fobs","282434","2023-04-05","16:29:04",""
"2312041","7.0784","0.0003","13.3979","0.0005","22.009","0.0012","90","","98.359","0.005","90","","2065.07","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ba O16 -","- C18 H18 Ba O16 -","- C72 H72 Ba4 O64 -","4","1","BM5151","Safari, Manije; Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","Efficient modulation of a barium metal-organic framework using amino acids.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","114","121","10.1107/S2052520623001105","","","0.71073","MoKα","","0.0863","0.0456","","","0.0828","0.0932","","","","","","1.001","","","","has coordinates,has Fobs","282414","2023-04-05","15:27:42",""
"2312042","7.2781","0.0003","13.4581","0.0004","22.4129","0.0006","90","","90","","90","","2195.33","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Ba O16 -","- C18 H18 Ba O16 -","- C72 H72 Ba4 O64 -","4","1","","Safari, Manije; Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","Efficient modulation of a barium metal-organic framework using amino acids.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","114","121","10.1107/S2052520623001105","","","0.71073","MoKα","","0.0733","0.0613","","","0.1256","0.1322","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","282414","2023-04-05","15:27:42",""
"2312082","5.2542","0.0001","5.2542","0.0001","12.6308","0.0003","90","","90","","120","","301.978","0.011","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","XK5099","Wrześniewska, Weronika; Paluch, Piotr; Guńka, Piotr A","Arsenic(III) oxide intercalate with ammonium chloride: crystal structure revision and thermal characterization.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","207","212","10.1107/S2052520623003086","","x-ray","0.71073","MoKα","","0.0164","0.0157","","","0.042","0.0424","","","","","","1.231","","","","has coordinates,has disorder,has Fobs","284364","2023-06-06","05:27:23",""
"2312108","46.689","0.004","12.2502","0.0006","8.2435","0.0004","90","","90","","90","","4714.9","0.5","130","0.1","130","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","5-dimethylaminomethylidene-4-(2-hydroxyphenyl)amino-1,3-thiazol-2(5H)-one","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C192 H208 N48 O32 S16 -","16","1","","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Jaskolski, Mariusz; Gzella, Andrzej K.","Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","220","232","10.1107/S2052520623003852","","","1.54184","CuKα","","0.0298","0.0279","","","0.0684","0.07","","","","","","1.059","","","","has coordinates,has Fobs","284365","2023-06-06","05:27:45",""
"2312109","20.7594","0.0003","11.8833","0.0002","13.3407","0.0002","90","","104.534","0.002","90","","3185.7","0.09","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-dimethylaminomethylidene-4-(3-hydroxyphenyl)amino-1,3-thiazol-2(5H)-one dimethylformamide solvate","","- C15 H20 N4 O3 S -","- C15 H20 N4 O3 S -","- C120 H160 N32 O24 S8 -","8","2","","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Jaskolski, Mariusz; Gzella, Andrzej K.","Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","220","232","10.1107/S2052520623003852","","","1.54184","CuKα","","0.0497","0.0415","","","0.1213","0.1271","","","","","","1.052","","","","has coordinates,has Fobs","284365","2023-06-06","05:27:57",""
"2312110","13.163","0.0002","17.0311","0.0003","7.3212","0.0001","90","","99.213","0.002","90","","1620.1","0.04","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-dimethylaminomethylidene-4-(4-hydroxyphenyl)amino-1,3-thiazol-2(5H)-one dimethylformamide solvate","","- C15 H20 N4 O3 S -","- C15 H20 N4 O3 S -","- C60 H80 N16 O12 S4 -","4","1","","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Jaskolski, Mariusz; Gzella, Andrzej K.","Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","220","232","10.1107/S2052520623003852","","","1.54184","CuKα","","0.0348","0.0324","","","0.0848","0.0872","","","","","","1.066","","","","has coordinates,has Fobs","284365","2023-06-06","05:28:11",""
"2312118","22.151","0.002","24.498","0.002","25.108","0.002","114.23","0.02","101.09","0.02","95.4","0.02","11963","3","80","2","80","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","32","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.042","0.0401","","","0.1127","0.1139","","","","","","1.059","","","","has coordinates,has Fobs","284366","2023-06-06","05:29:50",""
"2312119","22.178","0.002","24.504","0.002","25.106","0.002","114.21","0.02","101.16","0.02","95.37","0.02","11978","3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","32","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.0686","0.0656","","","0.1881","0.191","","","","","","1.021","","","","has coordinates,has Fobs","284366","2023-06-06","05:29:50",""
"2312120","22.151","0.002","24.498","0.002","25.108","0.002","114.23","0.02","101.09","0.02","95.4","0.02","11963","3","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","16","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.1208","0.119","","","0.2516","0.2521","","","","","","1.223","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312121","22.178","0.002","24.504","0.002","25.106","0.002","114.21","0.02","101.16","0.02","95.37","0.02","11978","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C576 H512 O32 Si32 -","32","16","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.1385","0.1357","","","0.2879","0.2888","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312122","15.025","0.002","19.506","0.002","23.021","0.002","107.96","0.02","102.68","0.02","101.48","0.02","5997.5","1.8","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","8","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.0584","0.0554","","","0.1553","0.1576","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312123","15.025","0.002","19.506","0.002","23.021","0.002","107.96","0.02","102.68","0.02","101.48","0.02","5997.5","1.8","80","2","80","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","16","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","1.54184","CuKα","","0.0525","0.0483","","","0.1383","0.1428","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312124","15.094","0.004","19.62","0.005","23.111","0.006","108.1","0.03","102.99","0.03","101.29","0.03","6073","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","8","XK5098","Krawczyk, Monika K.","Unusual flash cooling-induced phase in a crystal of triphenylsilanol.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","245","251","10.1107/S2052520623004006","","","0.71073","MoKα","","0.0906","0.0548","","","0.1238","0.1432","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","284366","2023-06-06","05:29:50",""
"2312137","5.0151","0.0005","5.0151","0.0005","8.1086","0.0009","90","","90","","120","","176.62","0.03","296","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co Ga Mg -","- Co Ga0.99995 Mg -","- Co4 Ga3.9998 Mg4 -","4","0.166667","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut","A new ternary derivative of the Laves phases in the Mg-Co-Ga system.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004511","","","0.71073","MoKα","","0.0264","0.0254","","","0.0642","0.0644","","","","","","1.274","","","","has coordinates,has Fobs","284807","2023-07-05","02:05:33",""
"2312138","4.9868","0.0009","25.959","0.004","8.0508","0.0011","90","","90","","90","","1042.2","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Co Ga0.52 Mg0.74 -","- Co Ga0.515 Mg0.735 -","- Co32 Ga16.48 Mg23.52 -","32","2","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut","A new ternary derivative of the Laves phases in the Mg-Co-Ga system.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004511","","","0.71073","MoKα","","0.0786","0.0338","","","0.0622","0.0886","","","","","","0.903","","","","has coordinates,has Fobs","284807","2023-07-05","02:05:34",""
"2312139","4.9296","0.0002","4.9296","0.0002","12.0744","0.0007","90","","90","","120","","254.11","0.02","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Co Ga0.15 Mg0.49 -","- Co1.00336 Ga0.149673 Mg0.489164 -","- Co11.037 Ga1.6464 Mg5.3808 -","11","0.305556","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Indris, Sylvio; Ehrenberg, Helmut","A new ternary derivative of the Laves phases in the Mg-Co-Ga system.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004511","","","0.71073","MoKα","","0.0338","0.0295","","","0.0791","0.0856","","","","","","1.178","","","","has coordinates,has Fobs","284807","2023-07-05","02:05:34",""
"2312140","8.1882","0.0003","27.2641","0.0007","22.8679","0.0007","90","","90.283","0.003","90","","5105.1","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ag2.8 Cu0.2 Pb9.77 S28 Sb11.23 -","- Ag2.803 Cu0.198 Pb9.772 S28 Sb11.228 -","- Ag11.212 Cu0.792 Pb39.088 S112 Sb44.912 -","4","1","RA5131","Stöger, Berthold; Göb, Christian; Topa, Dan","A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004523","","x-ray","0.71073","MoKα","","0.1009","0.0655","","","0.1324","0.1464","","","","","","1.022","","","","has coordinates,has Fobs","284808","2023-07-05","02:06:43",""
"2312141","12.0351","0.0004","15.1265","0.0005","10.5562","0.0004","90","","90","","90","","1921.75","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H4.36 Fe K2 O10.18 -","- C4 Fe K2 O10.1795 -","- C32 Fe8 K16 O81.436 -","8","2","RA5129","Amanchar, Sara; Schweitzer, Thierry; Mazet, Thomas; Malaman, Bernard; Diop, Leopold V. B.; Francois, Michel","Structure of the new iron(II) oxalate potassium salt K<sub>2</sub>Fe[(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·0.18H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004602","","","0.71073","MoKα","","0.0476","0.0366","","","0.0922","0.1004","","","","","","1.082","","","","has coordinates,has Fobs","284809","2023-07-05","02:07:23",""
"2312142","5.1335","0.0001","7.2734","0.0001","9.1031","0.0001","107.952","0.001","105.18","0.001","92.139","0.001","309.472","0.009","121","2","121","2","","","","","","","","4","P -1","-P 1","2","","bis-(hydrogenmaleate)tetraaquanickel(II)","","- C8 H14 Ni O12 -","- C8 H14 Ni0.5 O12 -","- C8 H14 Ni0.5 O12 -","1","0.5","","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Experimental charge density and topological analysis of tetraaquabis(hydrogenmaleato)nickel(II): a comparison with Hirshfeld atom refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004377","","","0.71073","MoKα","","0.021","0.016","","","","0.017","","","","","","0.93","","","","has coordinates,has Fobs","284810","2023-07-05","02:08:24",""
"2312143","12.0206","0.0003","5.09502","0.0001","10.8527","0.0003","90","","107.01","0.003","90","","635.6","0.03","293","2","293","2","","","","","","","","12","P 1 21 1","P 2yb","4","","","","- C0.1 H1.92 Al2.14 Ca2.48 K0.49 Mg0.04 Na0.21 O15.62 P0.2 S0.7 Si2.86 Sr0.06 -","- Al2 Ca2.693 K0.281 Na0.247 O15.616 S0.897 Si3 Sr0.06 -","- Al4 Ca5.386 K0.562 Na0.494 O31.232 S1.794 Si6 Sr0.12 -","2","1","","Zubkova, Natalia V.; Chukanov, Nikita V.; Varlamov, Dmitry A.; Vigasina, Marina F.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu","New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004638","","","0.71073","MoKα","","0.0192","0.0189","","","0.0508","0.051","","","","","","1.061","","","","has coordinates,has Fobs","284811","2023-07-05","02:09:32",""
"2312144","23.9846","0.0009","5.09694","0.00015","10.8504","0.0004","90","","107.032","0.004","90","","1268.26","0.08","293","2","293","2","","","","","","","","12","P 1 21/a 1","-P 2yab","14","","","","- C0.14 H4.04 Al4.2 Ca4.94 K0.9 Mg0.08 Na0.45 O31.4 P0.33 S1.53 Si5.8 Sr0.09 -","- Al4 Ca5.384 K0.454 Na0.526 O31.404 S1.858 Si6 Sr0.09 -","- Al8 Ca10.768 K0.908 Na1.052 O62.808 S3.716 Si12 Sr0.18 -","2","0.5","","Zubkova, Natalia V.; Chukanov, Nikita V.; Varlamov, Dmitry A.; Vigasina, Marina F.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu","New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004638","","","0.71073","MoKα","","0.042","0.0309","","","0.0648","0.0691","","","","","","1.025","","","","has coordinates,has Fobs","284811","2023-07-05","02:09:32",""
"2312151","5.9138","0.0002","9.8318","0.0004","10.8908","0.0004","73.154","0.004","76.691","0.003","87.551","0.003","589.58","0.04","100","5","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H16 Cl4 Mn N2 O2 -","- C3 H16 Cl4 Mn N2 O2 -","- C6 H32 Cl8 Mn2 N4 O4 -","2","1","","Abdel-Aal, Seham K; Souhassou, Mohamed; Durand, Pierrick; Lecomte, Claude; Abdel-Rahman, Ahmed S; Claiser, Nicolas","Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623005309","","","0.71073","MoKα","","0.0532","0.0331","","","0.0637","0.0737","","","","","","0.9956","","","","has coordinates,has Fobs","285080","2023-07-07","01:47:49",""
"2312152","8.8811","0.0001","8.8811","0.0001","9.2057","0.0001","90","","90","","120","","628.812","0.012","293","","293","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Y Zn5.217 -","- Y Zn5.21733 -","- Y6 Zn31.304 -","6","0.5","","Fredrickson, Rie T.; Fredrickson, Daniel C.","As predicted and more: modulated channel occupation in YZn<sub>5+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623005292","","x-ray","0.71073","MoKα","","0.056","0.0272","","","0.0788","0.0876","","","","1.94","1.94","1.53","","","","has coordinates,has Fobs","285139","2023-07-11","01:52:09",""
"2312165","12.3334","0.0002","14.6776","0.0002","18.2772","0.0002","90","","90","","90","","3308.62","0.08","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","NE5010","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.094","0.0643","","","0.118","0.1293","","","","","","1.11","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:07",""
"2312166","12.9662","0.0008","15.3404","0.0009","17.5869","0.0008","90","","90","","90","","3498.2","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2757","0.1137","","","0.1938","0.2535","","","","","","1.124","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312167","17.3333","0.0002","12.4822","0.0001","17.2401","0.0002","90","","115.745","0.0015","90","","3359.77","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0442","0.0391","","","0.1125","0.1174","","","","","","1.049","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312168","17.2809","0.0002","12.4718","0.0001","17.2385","0.0002","90","","115.779","0.0014","90","","3345.55","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0421","0.0375","","","0.1088","0.1133","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312169","17.3653","0.0002","12.3005","0.0001","16.9681","0.0001","90","","115.771","0.001","90","","3263.92","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0419","0.0387","","","0.1097","0.1126","","","","","","1.071","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312170","17.3421","0.0001","12.2466","0.0001","16.9062","0.0001","90","","115.859","0.0009","90","","3231.05","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0334","0.0315","","","0.0917","0.0932","","","","","","1.067","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312171","17.3504","0.0001","12.2463","0.0001","16.9059","0.0001","90","","115.859","0.0009","90","","3232.44","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0346","0.0328","","","0.0943","0.096","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312172","17.2304","0.0002","12.4328","0.0001","17.1722","0.0002","90","","115.784","0.0012","90","","3312.42","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.044","0.0395","","","0.1113","0.1157","","","","","","1.063","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312173","17.3439","0.0002","12.3191","0.0001","16.992","0.0002","90","","115.756","0.0011","90","","3269.84","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0445","0.041","","","0.1156","0.119","","","","","","1.067","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312174","17.3955","0.0001","12.2561","0.0001","16.9145","0.0001","90","","115.834","0.0009","90","","3245.8","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0354","0.0332","","","0.0953","0.0972","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312175","17.2586","0.0001","12.253","0.0001","16.9153","0.0002","90","","115.851","0.001","90","","3219.12","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0328","0.0313","","","0.0891","0.0903","","","","","","1.048","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312176","17.3888","0.0001","12.2512","0.0001","16.9092","0.0001","90","","115.844","0.0009","90","","3241.96","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0354","0.0332","","","0.0968","0.0993","","","","","","1.074","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312177","17.2972","0.0002","12.4754","0.0001","17.2406","0.0002","90","","115.77","0.0014","90","","3350.34","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0433","0.0383","","","0.1099","0.1145","","","","","","1.042","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312178","17.1815","0.0002","12.2587","0.0001","16.9189","0.0002","90","","115.825","0.0012","90","","3207.62","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0346","0.033","","","0.095","0.0963","","","","","","1.067","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312179","17.3163","0.0001","12.2478","0.0001","16.9086","0.0001","90","","115.86","0.001","90","","3226.99","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0329","0.0312","","","0.0893","0.0907","","","","","","1.064","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312180","17.3965","0.0001","12.2641","0.0001","16.9234","0.0001","90","","115.816","0.0009","90","","3250.29","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.037","0.0346","","","0.0981","0.1003","","","","","","1.061","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312181","17.3581","0.0001","12.2465","0.0001","16.9054","0.0001","90","","115.858","0.0009","90","","3233.88","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0346","0.0326","","","0.0944","0.0961","","","","","","1.076","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312182","17.3886","0.0001","12.2774","0.0001","16.9394","0.0001","90","","115.797","0.001","90","","3255.95","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0387","0.0362","","","0.1034","0.1056","","","","","","1.067","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312183","17.2381","0.0002","12.2553","0.0001","16.9184","0.0002","90","","115.847","0.0011","90","","3216.6","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0333","0.0317","","","0.09","0.0913","","","","","","1.054","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312184","17.3122","0.0002","12.3466","0.0001","17.0296","0.0002","90","","115.747","0.0011","90","","3278.65","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0452","0.0413","","","0.1174","0.1216","","","","","","1.055","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312185","17.2746","0.0002","12.3794","0.0001","17.0784","0.0002","90","","115.751","0.0012","90","","3289.5","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0449","0.0409","","","0.1159","0.1199","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312186","17.2408","0.0002","12.4576","0.0001","17.221","0.0002","90","","115.797","0.0013","90","","3330.11","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0423","0.038","","","0.1068","0.1109","","","","","","1.053","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312187","17.3927","0.0001","12.2534","0.0001","16.9115","0.0001","90","","115.838","0.0009","90","","3243.85","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0352","0.0331","","","0.095","0.0968","","","","","","1.06","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312188","17.1496","0.0002","12.2625","0.0001","16.9243","0.0002","90","","115.814","0.0016","90","","3203.98","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.038","0.0366","","","0.1042","0.1056","","","","","","1.05","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312189","17.1594","0.0002","12.2611","0.0001","16.9226","0.0002","90","","115.815","0.0015","90","","3205.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.037","0.0354","","","0.1016","0.1032","","","","","","1.05","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312190","17.2011","0.0002","12.2556","0.0001","16.9151","0.0002","90","","115.829","0.0011","90","","3209.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0341","0.0326","","","0.0939","0.0951","","","","","","1.06","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312191","17.273","0.0002","12.47","0.0001","17.2369","0.0002","90","","115.783","0.0014","90","","3343.11","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0422","0.0374","","","0.108","0.1126","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312192","17.2178","0.0002","12.2577","0.0001","16.921","0.0002","90","","115.841","0.0011","90","","3214.1","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0337","0.0321","","","0.091","0.0923","","","","","","1.053","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312193","17.3784","0.0001","12.2483","0.0001","16.9066","0.0001","90","","115.852","0.0009","90","","3238.54","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0352","0.0334","","","0.094","0.0957","","","","","","1.06","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312194","17.2891","0.0002","12.4738","0.0001","17.2395","0.0002","90","","115.775","0.0014","90","","3347.99","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0424","0.0376","","","0.1095","0.1142","","","","","","1.054","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312195","17.3421","0.0002","12.4836","0.0001","17.2399","0.0002","90","","115.74","0.0015","90","","3361.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0448","0.0393","","","0.1137","0.1192","","","","","","1.046","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312196","17.2974","0.0001","12.2491","0.0001","16.9106","0.0001","90","","115.858","0.001","90","","3224.24","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0332","0.0316","","","0.0912","0.0926","","","","","","1.059","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312197","17.2586","0.0002","12.4659","0.0001","17.2321","0.0002","90","","115.79","0.0013","90","","3338.1","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0425","0.0381","","","0.1089","0.113","","","","","","1.056","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312198","17.3059","0.0002","12.4774","0.0001","17.241","0.0002","90","","115.765","0.0014","90","","3352.78","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0428","0.038","","","0.1106","0.115","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312199","17.2485","0.0001","12.2541","0.0001","16.9168","0.0002","90","","115.85","0.0011","90","","3217.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0328","0.0312","","","0.0887","0.09","","","","","","1.053","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312200","17.2784","0.0001","12.2509","0.0001","16.913","0.0001","90","","115.856","0.001","90","","3221.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0327","0.0311","","","0.0888","0.0901","","","","","","1.048","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312201","17.2356","0.0002","12.422","0.0001","17.1521","0.0002","90","","115.776","0.0012","90","","3306.89","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0432","0.0392","","","0.1125","0.1163","","","","","","1.061","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312202","17.246","0.0002","12.4606","0.0001","17.2256","0.0002","90","","115.796","0.0013","90","","3332.84","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0423","0.0381","","","0.1074","0.1111","","","","","","1.051","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312203","17.2298","0.0002","12.446","0.0001","17.1989","0.0002","90","","115.795","0.0012","90","","3320.68","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0433","0.0391","","","0.1101","0.1138","","","","","","1.065","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312204","17.1908","0.0002","12.2568","0.0001","16.9166","0.0002","90","","115.826","0.0011","90","","3208.39","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0341","0.0324","","","0.0937","0.0951","","","","","","1.056","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312205","17.2287","0.0002","12.4404","0.0001","17.1874","0.0002","90","","115.791","0.0012","90","","3316.86","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0431","0.0389","","","0.1095","0.1133","","","","","","1.062","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312206","17.3069","0.0001","12.2483","0.0001","16.9094","0.0001","90","","115.859","0.001","90","","3225.54","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0332","0.0315","","","0.0902","0.0916","","","","","","1.063","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312207","17.3242","0.0002","12.4805","0.0001","17.2409","0.0002","90","","115.753","0.0015","90","","3357.49","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0436","0.0382","","","0.1106","0.116","","","","","","1.045","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312208","17.3655","0.0001","12.247","0.0001","16.9055","0.0001","90","","115.856","0.0009","90","","3235.45","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0347","0.0328","","","0.0934","0.095","","","","","","1.057","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312209","17.1718","0.0002","12.26","0.0001","16.9206","0.0002","90","","115.822","0.0012","90","","3206.54","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0346","0.0331","","","0.0942","0.0955","","","","","","1.059","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312210","17.252","0.0002","12.4633","0.0001","17.2293","0.0002","90","","115.794","0.0013","90","","3335.49","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0423","0.0379","","","0.1081","0.1123","","","","","","1.049","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312211","17.3147","0.0002","12.4789","0.0001","17.2407","0.0002","90","","115.757","0.0014","90","","3355.05","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0432","0.0381","","","0.1108","0.1156","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312212","17.2283","0.0002","12.2566","0.0001","16.9197","0.0002","90","","115.845","0.0011","90","","3215.41","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0332","0.0316","","","0.09","0.0913","","","","","","1.061","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312213","17.384","0.0001","12.2496","0.0001","16.9077","0.0001","90","","115.848","0.0009","90","","3240.23","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0359","0.0339","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312214","17.2483","0.0002","12.406","0.0001","17.1227","0.0002","90","","115.766","0.0012","90","","3299.66","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.043","0.0392","","","0.1122","0.1159","","","","","","1.053","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312215","17.2322","0.0002","12.4508","0.0001","17.208","0.0002","90","","115.796","0.0013","90","","3324.15","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0424","0.0382","","","0.1075","0.1113","","","","","","1.059","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312216","17.3723","0.0001","12.2473","0.0001","16.9059","0.0001","90","","115.855","0.0009","90","","3236.9","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0353","0.0335","","","0.094","0.0956","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312217","17.2362","0.0002","12.4545","0.0001","17.2151","0.0002","90","","115.797","0.0013","90","","3327.24","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0428","0.0386","","","0.1083","0.1123","","","","","","1.052","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312218","17.2684","0.0001","12.252","0.0001","16.9141","0.0002","90","","115.853","0.001","90","","3220.39","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0324","0.0308","","","0.0875","0.0888","","","","","","1.044","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312219","17.2658","0.0002","12.468","0.0001","17.235","0.0002","90","","115.787","0.0014","90","","3340.71","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0424","0.0378","","","0.1084","0.1132","","","","","","1.048","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312220","17.2881","0.0001","12.2499","0.0001","16.9117","0.0002","90","","115.858","0.001","90","","3222.91","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0328","0.031","","","0.0891","0.0906","","","","","","1.058","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312221","17.3795","0.0001","12.2872","0.0001","16.9515","0.0001","90","","115.785","0.001","90","","3259.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N6 S2 -","- C38 H28 Fe N6 S2 -","- C152 H112 Fe4 N24 S8 -","4","1","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.63582","Synchrotron","","0.0399","0.0368","","","0.104","0.1069","","","","","","1.062","","","","has coordinates,has disorder","286839","2023-10-06","23:58:08",""
"2312222","12.9526","0.0005","15.1884","0.0006","17.6032","0.0006","90","","90","","90","","3463.1","0.2","293","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2285","0.1033","","","0.1492","0.187","","","","","","1.15","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312223","12.3465","0.0002","14.7297","0.0002","18.2561","0.0002","90","","90","","90","","3320.06","0.08","120","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1056","0.0728","","","0.1305","0.142","","","","","","1.149","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312224","12.9265","0.0004","15.0011","0.0004","17.6167","0.0004","90","","90","","90","","3416.08","0.16","215","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1837","0.1069","","","0.1497","0.1728","","","","","","1.205","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312225","12.3334","0.0002","14.6776","0.0002","18.2772","0.0002","90","","90","","90","","3308.62","0.08","85","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.094","0.0643","","","0.118","0.1293","","","","","","1.11","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312226","12.9195","0.0003","14.9581","0.0004","17.6206","0.0004","90","","90","","90","","3405.2","0.14","195","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1741","0.1079","","","0.1559","0.1765","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312227","12.9579","0.0005","15.244","0.0006","17.5986","0.0006","90","","90","","90","","3476.3","0.2","315","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2477","0.1134","","","0.1591","0.1996","","","","","","1.164","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312228","12.3375","0.0002","14.6932","0.0002","18.2706","0.0002","90","","90","","90","","3312.05","0.08","95","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0968","0.0679","","","0.1232","0.1345","","","","","","1.118","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312229","12.9162","0.0003","14.9373","0.0004","17.622","0.0004","90","","90","","90","","3399.87","0.14","185","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1677","0.1036","","","0.1553","0.1765","","","","","","1.197","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312230","12.9231","0.0003","14.98","0.0004","17.6199","0.0004","90","","90","","90","","3411","0.14","205","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1786","0.109","","","0.1478","0.1686","","","","","","1.206","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312231","12.3677","0.0002","14.816","0.0003","18.2223","0.0003","90","","90","","90","","3339.05","0.1","165","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1408","0.0945","","","0.1491","0.164","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312232","12.3441","0.0002","14.7212","0.0002","18.2597","0.0002","90","","90","","90","","3318.15","0.08","115","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1056","0.0732","","","0.1312","0.1426","","","","","","1.163","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312233","12.3623","0.0002","14.7965","0.0003","18.23","0.0003","90","","90","","90","","3334.61","0.1","155","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1327","0.0887","","","0.1403","0.1549","","","","","","1.206","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312234","12.9388","0.0004","15.0788","0.0005","17.6121","0.0005","90","","90","","90","","3436.15","0.18","250","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1931","0.0995","","","0.1535","0.1839","","","","","","1.145","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312235","12.9641","0.0007","15.3324","0.0008","17.5888","0.0007","90","","90","","90","","3496.1","0.3","345","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2776","0.1206","","","0.1679","0.2162","","","","","","1.162","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312236","12.3384","0.0002","14.6989","0.0002","18.2686","0.0002","90","","90","","90","","3313.21","0.08","100","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0994","0.0691","","","0.1246","0.1355","","","","","","1.129","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312237","12.9419","0.0005","15.1124","0.0005","17.608","0.0005","90","","90","","90","","3443.8","0.2","265","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2039","0.0973","","","0.1495","0.1843","","","","","","1.141","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312238","12.9212","0.0003","14.9706","0.0004","17.6196","0.0004","90","","90","","90","","3408.3","0.14","200","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1753","0.1085","","","0.1485","0.1685","","","","","","1.223","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312239","12.3733","0.0003","14.8371","0.0003","18.2128","0.0004","90","","90","","90","","3343.58","0.13","175","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1464","0.0931","","","0.1463","0.1631","","","","","","1.214","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312240","12.3481","0.0002","14.7388","0.0002","18.2524","0.0003","90","","90","","90","","3321.87","0.09","125","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1101","0.0754","","","0.1344","0.1466","","","","","","1.154","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312241","12.3551","0.0002","14.7667","0.0003","18.2415","0.0003","90","","90","","90","","3328.05","0.1","140","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1148","0.0751","","","0.1327","0.1466","","","","","","1.156","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312242","12.9473","0.0005","15.1502","0.0006","17.6044","0.0005","90","","90","","90","","3453.2","0.2","280","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2137","0.1014","","","0.1557","0.1912","","","","","","1.157","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312243","12.34","0.0002","14.7047","0.0002","18.2655","0.0002","90","","90","","90","","3314.38","0.08","105","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1006","0.0689","","","0.124","0.1356","","","","","","1.13","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312244","12.9347","0.0004","15.056","0.0005","17.6127","0.0004","90","","90","","90","","3429.98","0.17","240","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1831","0.0942","","","0.1419","0.1687","","","","","","1.131","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312245","12.9442","0.0004","15.1256","0.0005","17.6073","0.0005","90","","90","","90","","3447.31","0.18","270","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2064","0.0998","","","0.1559","0.1907","","","","","","1.148","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312246","12.9305","0.0004","15.0243","0.0004","17.6168","0.0004","90","","90","","90","","3422.45","0.16","225","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1888","0.1058","","","0.146","0.1712","","","","","","1.191","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312247","12.9365","0.0004","15.0666","0.0004","17.6116","0.0004","90","","90","","90","","3432.66","0.16","245","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.188","0.0968","","","0.1458","0.1745","","","","","","1.144","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312248","12.9607","0.0006","15.2577","0.0008","17.5967","0.0007","90","","90","","90","","3479.8","0.3","320","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2465","0.1059","","","0.1614","0.2049","","","","","","1.136","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312249","12.3353","0.0002","14.6851","0.0002","18.2738","0.0002","90","","90","","90","","3310.21","0.08","90","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.0968","0.0664","","","0.1245","0.1363","","","","","","1.126","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312250","12.3711","0.0003","14.826","0.0003","18.2181","0.0003","90","","90","","90","","3341.45","0.12","170","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1383","0.0874","","","0.14","0.1569","","","","","","1.188","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312251","12.9344","0.0004","15.0561","0.0005","17.6128","0.0004","90","","90","","90","","3429.95","0.17","235","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1853","0.095","","","0.1395","0.167","","","","","","1.144","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312252","12.9579","0.0006","15.2284","0.0007","17.5993","0.0007","90","","90","","90","","3472.8","0.3","310","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2386","0.1022","","","0.1521","0.1947","","","","","","1.132","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312253","12.9555","0.0005","15.2018","0.0006","17.6028","0.0006","90","","90","","90","","3466.8","0.2","300","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2336","0.1038","","","0.1533","0.1929","","","","","","1.147","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312254","12.9631","0.0007","15.3033","0.0008","17.5926","0.0007","90","","90","","90","","3490","0.3","335","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2671","0.1157","","","0.1638","0.2104","","","","","","1.156","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312255","12.3502","0.0002","14.748","0.0002","18.249","0.0003","90","","90","","90","","3323.89","0.09","130","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1134","0.0757","","","0.1346","0.1478","","","","","","1.164","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312256","12.918","0.0003","14.9481","0.0004","17.6212","0.0004","90","","90","","90","","3402.65","0.14","190","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.171","0.1068","","","0.1538","0.1742","","","","","","1.222","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312257","12.9471","0.0005","15.1392","0.0006","17.6059","0.0006","90","","90","","90","","3450.9","0.2","275","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2056","0.0978","","","0.155","0.1899","","","","","","1.137","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312258","12.9639","0.0007","15.2874","0.0007","17.5947","0.0007","90","","90","","90","","3487","0.3","330","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2577","0.1116","","","0.1628","0.2086","","","","","","1.142","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312259","12.9567","0.0006","15.2136","0.0006","17.602","0.0006","90","","90","","90","","3469.7","0.2","305","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2363","0.1085","","","0.1503","0.1882","","","","","","1.145","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312260","12.3654","0.0003","14.8067","0.0003","18.226","0.0003","90","","90","","90","","3337.01","0.12","160","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1352","0.0919","","","0.1452","0.159","","","","","","1.216","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312261","12.9645","0.0007","15.3174","0.0007","17.59","0.0007","90","","90","","90","","3493.1","0.3","340","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2721","0.1137","","","0.168","0.2195","","","","","","1.132","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312262","12.9256","0.0004","14.9915","0.0004","17.6177","0.0004","90","","90","","90","","3413.85","0.16","210","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1805","0.1082","","","0.1442","0.1649","","","","","","1.2","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312263","12.9498","0.0005","15.1732","0.0006","17.6021","0.0005","90","","90","","90","","3458.6","0.2","290","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2261","0.1069","","","0.1568","0.194","","","","","","1.158","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312264","12.9281","0.0004","15.0131","0.0004","17.6172","0.0004","90","","90","","90","","3419.34","0.16","220","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1866","0.1079","","","0.1468","0.17","","","","","","1.21","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312265","12.3593","0.0002","14.7857","0.0003","18.2342","0.0003","90","","90","","90","","3332.13","0.1","150","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1293","0.0876","","","0.1415","0.155","","","","","","1.218","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312266","12.9662","0.0008","15.3404","0.0009","17.5869","0.0008","90","","90","","90","","3498.2","0.3","350","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2757","0.1137","","","0.1938","0.2535","","","","","","1.124","","","","has coordinates,has Fobs","286839","2023-10-06","23:58:08",""
"2312267","12.9604","0.0006","15.2712","0.0007","17.5958","0.0006","90","","90","","90","","3482.6","0.3","325","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.2561","0.1158","","","0.1635","0.2061","","","","","","1.17","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312268","12.3525","0.0002","14.7569","0.0003","18.2457","0.0003","90","","90","","90","","3325.91","0.1","135","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1156","0.0784","","","0.1351","0.1486","","","","","","1.151","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312269","12.9149","0.0003","14.927","0.0004","17.6232","0.0004","90","","90","","90","","3397.41","0.14","180","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1627","0.1052","","","0.1565","0.1749","","","","","","1.23","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312270","12.9419","0.0004","15.1014","0.0005","17.6085","0.0005","90","","90","","90","","3441.42","0.18","260","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1965","0.0962","","","0.1494","0.1821","","","","","","1.138","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312271","12.9392","0.0004","15.0898","0.0005","17.6092","0.0005","90","","90","","90","","3438.2","0.18","255","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.196","0.098","","","0.1542","0.1864","","","","","","1.146","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312272","12.3576","0.0002","14.7766","0.0003","18.2377","0.0003","90","","90","","90","","3330.26","0.1","145","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1271","0.0867","","","0.1414","0.1549","","","","","","1.211","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312273","12.3415","0.0002","14.7126","0.0002","18.2629","0.0002","90","","90","","90","","3316.1","0.08","110","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1032","0.0719","","","0.1281","0.139","","","","","","1.157","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312274","12.9317","0.0004","15.0357","0.0004","17.6142","0.0004","90","","90","","90","","3424.86","0.16","230","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10.86 H8 Fe0.29 N1.71 S0.57 -","- C10.8571 H8 Fe0.285714 N1.71429 S0.571429 -","- C152 H112 Fe4 N24 S8 -","14","1.75","","Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.","Structural insight into the cooperativity of spin crossover compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","Pt 5","354","367","10.1107/S2052520623005814","","","0.65524","Synchrotron","","0.1948","0.1078","","","0.1425","0.1674","","","","","","1.191","","","","has coordinates","286839","2023-10-06","23:58:08",""
"2312283","9.2532","0.0014","12.3025","0.0018","3.0256","0.0005","90","","90","","90","","344.43","0.09","293","","293","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Al0.08 B Fe1.183 Mg1.737 O5 -","- Al0.08 B Fe1.1835 Mg1.7365 O5 -","- Al0.32 B4 Fe4.734 Mg6.946 O20 -","4","0.5","","Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Levashova, Irina O.; Shablinskii, Andrey P.; Bubnova, Rimma S.; Vagizov, Farit G.; Ugolkov, Valery L.; Filatov, Stanislav K.; Pekov, Igor V.","Crystal structure refinement, low- and high-temperature X-ray diffraction and Mössbauer spectroscopy study of the oxoborate ludwigite from the Iten'yurginskoe deposit.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","5","","","10.1107/S2052520623006455","","x-ray","0.71073","MoKα","","0.073","0.0469","","","0.0397","0.0434","","","","1.72","1.72","1.53","","","","has coordinates","286220","2023-09-06","01:45:35",""
"2312284","11.403","0.004","11.882","0.002","10.905","0.003","90","","119.475","0.013","90","","1286.3","0.6","299","","299","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Sodium chloride tridecahydrate","Sodium chloride tridecahydrate","","- Cl H26 Na O13 -","- Cl Na O13 -","- Cl4 Na4 O52 -","4","0.5","","Yamashita, Keishiro; Nakayama, Kazuya; Komatsu, Kazuki; Ohhara, Takashi; Munakata, Koji; Hattori, Takanori; Sano-Furukawa, Asami; Kagi, Hiroyuki","The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","5","","","10.1107/S2052520623007199","","","0.71075","MoKα","","0.0423","0.0423","","","0.0987","0.0987","","","","","","0.957","","","","has coordinates,has Fobs","286336","2023-09-14","01:39:54",""
"2312285","11.3436","0.0001","11.8254","0.001","10.8625","0.0002","90","","119.345","0.0004","90","","1270.15","0.11","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Deuterated sodium chloride tridecahydrate","Deuterated sodium chloride tridecahydrate","","- Cl D26 Na O13 -","- Cl D26 Na O13 -","- Cl4 D104 Na4 O52 -","4","0.5","","Yamashita, Keishiro; Nakayama, Kazuya; Komatsu, Kazuki; Ohhara, Takashi; Munakata, Koji; Hattori, Takanori; Sano-Furukawa, Asami; Kagi, Hiroyuki","The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","5","","","10.1107/S2052520623007199","","","1","neutron","","0.0748","0.0748","","","0.1823","0.1823","","","","","","1.779","","","","has coordinates,has Fobs","286336","2023-09-14","01:39:57",""
"2312317","27.946","0.007","7.0236","0.0005","21.61","0.003","90","","119.031","0.014","90","","3708.7","1.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TPPM_BnOH","","- C48.5 H35.5 N4 O0.5 -","- C48.5 H35.5 N4 O0.5 -","- C194 H142 N16 O2 -","4","0.5","","Marchetti, Danilo; Pedrini, Alessandro; Massera, Chiara; Diame, Moussa Faye; Jandl, Christian; Steinfeld, Gunther; Gemmi, Mauro","3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","432","436","10.1107/S2052520623007680","","electron","0.0285","electron","","0.2031","0.1442","","","0.1479","0.1532","","","","0","0","3.9081","","","","has coordinates,has Fobs","288124","2023-12-07","11:46:18",""
"2312318","12.4202","0.0003","3.7916","0.0001","16.915","0.004","90","","107.792","0.008","90","","758.47","0.18","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","","Anil Kumar, G. N.; Hathwar, Venkatesha R.","Quantifying weak interactions in ferroelectric and paraelectric phases of phenazine and chloroanilic acid co-crystal using experimental and theoretical electron densities.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007862","","","0.2496","Synchrotron,monochromatic","","0.025","0.025","","","","0.034","","","","","","0.897","","","","has coordinates,has Fobs","286957","2023-10-13","02:19:10",""
"2312324","4.2854","","4.2854","","30.02341","","90","","90","","120","","477.5","","0","","0","","0","","0","","","","","3","R -3 m :H","-R 3 2""","166","","","Tetradymite","- Bi2 S Te2 -","- Bi2 S Te2 -","- Bi6 S3 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312325","4.2701","","4.2701","","40.41287","","90","","90","","120","","638.155","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Aleksite 7 layer","- Bi4 Pb2 S4 Te4 -","- Bi2 Pb S2 Te2 -","- Bi6 Pb3 S6 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312326","4.27221","","4.27221","","80.7301","","90","","90","","120","","1276.06","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Aleksite 5.9 layer","- Bi4 Pb2 S4 Te4 -","- Bi2 Pb S2 Te2 -","- Bi12 Pb6 S12 Te12 -","6","0.166667","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312327","4.25788","","4.25788","","16.9431","","90","","90","","120","","266.018","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Saddlebackite 9 layer","- Bi4 Pb4 S6 Te4 -","- Bi2 Pb2 S3 Te2 -","- Bi2 Pb2 S3 Te2 -","1","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312328","4.26052","","4.26052","","33.81797","","90","","90","","120","","531.623","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Saddlebackite 7.11 layer","- Bi4 Pb4 S6 Te4 -","- Bi2 Pb2 S3 Te2 -","- Bi4 Pb4 S6 Te4 -","2","0.166667","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312329","4.25029","","4.25029","","61.24237","","90","","90","","120","","958.12","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Unnamed","- Bi4 Pb6 S8 Te4 -","- Bi2 Pb3 S4 Te2 -","- Bi6 Pb9 S12 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312330","4.24478","","4.24478","","71.45943","","90","","90","","120","","1115.07","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Unnamed","- Bi4 Pb8 S10 Te4 -","- Bi2 Pb4 S5 Te2 -","- Bi6 Pb12 S15 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312331","4.24282","","4.24282","","27.31123","","90","","90","","120","","425.776","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Hitachiite","- Bi4 Pb10 S12 Te4 -","- Bi2 Pb5 S6 Te2 -","- Bi2 Pb5 S6 Te2 -","1","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312332","4.24175","","4.24175","","92.27622","","90","","90","","120","","1437.84","","0","","0","","0","","0","","","","","4","R -3 m :H","-R 3 2""","166","","","Unnamed","- Bi4 Pb12 S14 Te4 -","- Bi2 Pb6 S7 Te2 -","- Bi6 Pb18 S21 Te6 -","3","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312335","12.8036","0.0006","14.9042","0.0008","5.9782","0.0003","90","","90.002","0.002","90","","1140.8","0.1","300","","300","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Fe H6 K3 O12 Te2 -","- Fe H4 K3 O12 Te2 -","- Fe4 H16 K12 O48 Te8 -","4","0.5","YV5013","Wolflehner, Tobias; Stöger, Berthold","Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","510","518","10.1107/S2052520623009162","","","0.71073","MoKα","","0.0259","0.0204","","","0.0431","0.0446","","","","","","1.012","","","","has coordinates,has Fobs","288123","2023-12-07","11:46:07",""
"2312336","12.766","0.0006","14.947","0.0006","5.9706","0.0002","90","","90.047","0.003","90","","1139.27","0.08","432","","432","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Fe H4.86 K3 O11.43 Te2 -","- Fe H4 K3 O11.43 Te2 -","- Fe4 H16 K12 O45.72 Te8 -","4","0.5","","Wolflehner, Tobias; Stöger, Berthold","Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","510","518","10.1107/S2052520623009162","","x-ray","0.71073","MoKα","","0.0466","0.037","","","0.0907","0.1011","","","","","","1.026","","","","has coordinates,has Fobs","288123","2023-12-07","11:46:07",""
"2312337","36.3","0.07","3.7804","0.0002","28.6","0.04","90","","129","0.3","90","","3050","15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","XK5102","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0677","0.0596","","","0.1523","0.1618","","","","","","1.053","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:36",""
"2312338","36.04","0.09","3.6849","0.0002","28.44","0.05","90","","128.7","0.3","90","","2948","15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0714","0.0548","","","0.1402","0.1466","","","","","","0.94","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:36",""
"2312339","35.81","0.07","3.6016","0.0002","28.27","0.04","90","","128.3","0.3","90","","2861","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0701","0.0576","","","0.1527","0.1587","","","","","","1.022","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:36",""
"2312340","35.61","0.07","3.5185","0.0002","28.11","0.04","90","","128","0.3","90","","2775","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0804","0.0757","","","0.2067","0.2137","","","","","","1.074","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312341","35.4","0.08","3.4511","0.0002","28.01","0.04","90","","127.8","0.3","90","","2704","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.0856","0.0811","","","0.214","0.2196","","","","","","1.056","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312342","35.29","0.13","3.3723","0.0004","27.84","0.06","90","","127.2","0.4","90","","2639","18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.2916","synchrotron","","0.1384","0.1203","","","0.3228","0.3524","","","","","","1.329","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312343","36.468","0.005","3.8405","0.00011","28.701","0.007","90","","129.39","0.03","90","","3106.6","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.71073","MoKα","","0.081","0.0628","","","0.1571","0.1684","","","","","","1.078","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312344","36.007","0.004","3.68425","0.00009","28.377","0.007","90","","128.63","0.03","90","","2940.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.71073","MoKα","","0.0714","0.0561","","","0.1404","0.1504","","","","","","1.083","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312345","35.487","0.006","3.48553","0.00012","28.117","0.009","90","","128","0.04","90","","2740.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.71073","MoKα","","0.0703","0.0563","","","0.1411","0.1498","","","","","","1.094","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312346","36.007","0.007","3.66703","0.00016","28.389","0.011","90","","128.68","0.04","90","","2926","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.","A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008740","","x-ray","0.71073","MoKα","","0.0944","0.0695","","","0.1902","0.2064","","","","","","1.15","","","","has coordinates,has Fobs","287486","2023-11-08","03:00:37",""
"2312353","8.0045","0.0005","9.2035","0.0006","15.821","0.001","90.211","0.002","102.112","0.002","93.805","0.002","1136.88","0.13","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C52 H60 N4 O4 -","2","1","","Zhang, Yanli; Liu, Hui; Chen, Zongxin; Meng, Jialei; Li, Yunfeng; Qi, Luyao; Zhang, Suiliang; Chen, Xiaofeng; Lei, Ming","A drug-drug cocrystal and a co-amorphous form, prepared from honokiol and ligustrazine, inspired by Chinese patent medicine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623008648","","","0.71073","MoKα","","0.149","0.0692","","","0.1332","0.1748","","","","","","1.056","","","","has coordinates,has Fobs","287638","2023-11-16","02:55:58",""
"2312354","9.7566","0.0007","10.8671","0.0008","11.8861","0.0009","67.067","0.001","78.948","0.001","66.83","0.001","1065.92","0.14","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cd3 Cl2 N4 O10 -","- C40 H52 Cd3 Cl2 N4 O10 -","- C40 H52 Cd3 Cl2 N4 O10 -","1","0.5","AW5080","Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei","Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007813","","","0.71073","MoKα","","0.025","0.0219","","","0.0528","0.0545","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","287639","2023-11-16","02:57:05",""
"2312355","23.447","0.002","14.4538","0.0013","8.7016","0.0007","90","","96.232","0.002","90","","2931.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H80 Cd2 N8 O20 -","- C44 H80 Cd2 N8 O20 -","- C88 H160 Cd4 N16 O40 -","2","0.25","AW5080","Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei","Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007813","","","0.71073","MoKα","","0.0419","0.0326","","","0.0841","0.0901","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","287639","2023-11-16","02:57:08",""
"2312356","9.6423","0.0011","10.3812","0.0013","12.9847","0.0015","96.183","0.002","90.257","0.002","115.326","0.002","1166.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N4 O6 Zn -","- C24 H26 N4 O6 Zn -","- C48 H52 N8 O12 Zn2 -","2","1","AW5080","Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei","Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007813","","","0.71073","MoKα","","0.0334","0.0281","","","0.0714","0.0735","","","","","","1.054","","","","has coordinates,has Fobs","287639","2023-11-16","02:57:08",""
"2312357","8.829","0.003","12.668","0.004","10.008","0.003","90","","97.302","0.006","90","","1110.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H26 Cu N4 O6 -","- C20 H26 Cu N4 O6 -","- C40 H52 Cu2 N8 O12 -","2","0.25","AW5080","Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei","Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","","","10.1107/S2052520623007813","","","0.71073","MoKα","","0.0541","0.0464","","","0.1087","0.1128","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","287639","2023-11-16","02:57:08",""