# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T10:54:35+01:00
# 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 'Monatshefte fur Chemie') 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
"1546105","8.382","0.002","6.087","0.001","12.285","0.002","90","","90","","90","","626.8","0.2","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu3 H4 O8 Se -","- Cu3 H4 O8 Se -","- Cu12 H16 O32 Se4 -","4","0.5","","Gerald Giester","Crystal structure of synthetic Cu3SeO4(OH)4","Monatshefte fur Chemie","1991","122","","229","234","10.1007/BF00810821","","x-ray","0.71069","MoKα","","","0.026","","","0.021","","","","","","","","","","","has coordinates","196942","2020-10-21","18:00:00",""
"1548450","13.146","0.0013","29.598","0.003","8.1392","0.0006","90","","90","","90","","3166.9","0.5","100","","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","(E)-1-(2-amino-4.5-dimethoxyphenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","1","","Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel","Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones","Monatshefte Fur Chemie","2016","147","","1747","1757","10.1007/s00706-016-1812-9","","","0.71073","MoKα","","0.0602","0.0403","","","0.0867","0.0943","","","","","","1.033","","","","has coordinates","204219","2020-10-21","18:00:00",""
"1548451","18.877","0.004","16.644","0.003","19.387","0.004","90","","91.781","0.01","90","","6088","2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(2-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C300 H260 N20 O40 -","20","5","","Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel","Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones","Monatshefte Fur Chemie","2016","147","","1747","1757","10.1007/s00706-016-1812-9","","","0.71073","MoKα","","0.1182","0.0579","","","0.1314","0.1596","","","","","","1.025","","","","has coordinates","204220","2020-10-21","18:00:00",""
"1548481","11.3922","0.0007","16.9725","0.0011","17.7886","0.0011","90","","94.059","0.002","90","","3430.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H31.5 Cr N O3 P2 S -","- C42 H30 Cr N0.5 O3 P2 S -","- C168 H120 Cr4 N2 O12 P8 S4 -","4","1","","Mastalir, Matthias; Schweinzer, Clara; Weil, Matthias; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","A chromium tricarbonyl complex featuring the 4,6-bis(diphenylphosphinomethyl)dibenzothiophene (PSPPh) ligand","Monatshefte für Chemie","2016","147","7","1183","1187","10.1007/s00706-016-1707-9","","","0.71073","MoKα","","0.0559","0.0368","","","0.0856","0.0955","","","","","","1.041","","","","has coordinates","210729","2020-10-21","18:00:00",""
"1548528","24.1896","0.0007","24.1896","0.0007","28.4068","0.0017","90","","90","","90","","16621.9","1.2","100","","100","","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","","","","- C33 H35 Cl2 Fe N3 P2 -","- C33 H35 Cl2 Fe N3 P2 -","- C528 H560 Cl32 Fe16 N48 P32 -","16","1","","Christian Schroder-Holzhacker; Nikolaus Gorgas; Berthold Stoger; Karl Kirchner","Synthesis and reactivity of BINEPINE-based chiral Fe(II) PNP pincer complexes","Monatshefte Fur Chemie","2016","147","","1023","1030","10.1007/s00706-016-1706-x","","x-ray","0.71069","MoKα","","0.098","0.0763","","","0.0947","0.0967","","","","4.09","4.09","3.5","","","","has coordinates","204448","2020-10-21","18:00:00",""
"2002400","10.77","","10.597","","7.597","","90","","130.09","","90","","663.3","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Thallium samarium ditungstate - α","","- O8 Sm Tl W2 -","- O8 Sm Tl W2 -","- O32 Sm4 Tl4 W8 -","4","0.5","","Mumm, Hans-Carsten; Müller-Buschbaum, Hanskarl","Zur Kristallstruktur von α-TlSmW~2~O~8~","Monatshefte für Chemie","1987","118","12","1357","1362","10.1007/bf00810641","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","200090","2020-10-21","18:00:00",""
"9009691","7.99","","4.645","","9.115","","90","","78.3","","90","","331.261","","","","","","","","","","","","Synthetic","2","P 1 21/n 1","-P 2yn","14","","","Claudetite II","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Pertlik, F.","Die kristallstruktur der monoklinen form von As2O3 (Claudetit II)","Monatshefte fur Chemie","1975","106","","755","762","10.1007/BF00902181","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009692","15.149","","7.476","","10.589","","90","","90","","90","","1199.25","","","","","","","","","","","","Synthetic","3","P n a 21","P 2c -2n","33","","","Argyrodite","- Ag8 Ge S6 -","- Ag8 Ge S6 -","- Ag32 Ge4 S24 -","4","1","","Eulenberger, G.","Die kristallstrukture der tieftemperaturmodifikation von Ag8GeS6 Note: z-coordinate of Ag6 altered to reproduce reported bond lengths","Monatshefte fur Chemie","1977","108","","901","913","10.1007/BF00898056","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009693","5.25","","12.99","","4.53","","90","","93.88","","90","","308.227","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","Claudetite","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Pertlik, F.","Verfeinerung der kristallstruktur des minerals claudetit","Monatshefte fur Chemie","1978","109","","277","282","10.1007/BF00906344","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009694","9.37","","6.319","","7.639","","90","","122.34","","90","","382.141","","","","","","","","","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","","","Dolerophanite","- Cu2 O5 S -","- Cu2 O5 S -","- Cu8 O20 S4 -","4","0.5","","Effenberger, H.","Cu2O(SO4), dolerophanite: Refinement of the crystal structure with a comparison of [OCu(II)4] tetrahedra in inorganic compounds","Monatshefte fur Chemie","1985","116","","927","931","10.1007/BF00809186","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9012072","6.0931","","6.0931","","7.5446","","90","","90","","120","","242.574","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","Monohydrocalcite","- C H2 Ca O4 -","- C H2 Ca O4 -","- C3 H6 Ca3 O12 -","3","0.5","","Effenberger, E.","Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Substructure","Monatshefte fur Chemie","1981","112","","899","909","10.1007/BF00905061","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012073","10.5536","","10.5536","","7.5446","","90","","90","","120","","727.726","","","","","","","","","","","","","4","P 31","P 31","144","","","Monohydrocalcite","- C H2 Ca O4 -","- C H2 Ca O4 -","- C9 H18 Ca9 O36 -","9","3","","Effenberger, E.","Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Superstructure","Monatshefte fur Chemie","1981","112","","899","909","10.1007/BF00905061","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9013439","12.089","","6.903","","6.3537","","90","","90.089","","90","","530.218","","","","","","","","","","","","Synthetic","5","C 1 2 1","C 2y","5","","","Omongwaite","- Ca2.572 H4 Na0.856 O13.42 S3 -","- Ca2.572 H2.84 Na0.856 O13.42 S3 -","- Ca5.144 H5.68 Na1.712 O26.84 S6 -","2","0.5","","Freyer, D.; Reck, G.; Bremer, M.; Voigt, W.","Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: subcell","Monatshefte fur Chemie","1999","130","","1179","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013440","24.1781","","13.805","","12.7074","","90","","90.089","","90","","4241.45","","","","","","","","","","","","Synthetic","5","C 1 2 1","C 2y","5","","","Omongwaite","- Ca2.572 H4 Na0.858 O13.442 S3 -","- Ca2.572 H2.885 Na0.85775 O13.4425 S3 -","- Ca41.152 H46.16 Na13.724 O215.08 S48 -","16","4","","Freyer, D.; Reck, G.; Bremer, M.; Voigt, W.","Thermal behaviour and crystal structure of sodium-containing hemihydrates of calcium sulfate Note: supercell","Monatshefte fur Chemie","1999","130","","1179","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9014716","5.555","","6.671","","6.127","","90","","114.88","","90","","205.978","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Belloite","- Cl Cu H O -","- Cl Cu H O -","- Cl4 Cu4 H4 O4 -","4","1","","Effenberger, H.","Verfeinerung der Kristallstruktur von Kupfer(II)-hydroxichlorid, Cu(OH)Cl","Monatshefte fur Chemie","1984","115","","725","730","10.1007/BF01120967","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9017773","5.257","","5.257","","8.955","","90","","90","","120","","214.325","","","","","","","","","","","","Synthetic","4","P 6 2 2","P 6 2","177","","","","- As4 Br K O6 -","- As4 Br K O6 -","- As4 Br K O6 -","1","0.0833333","","Pertlik, F.","The compounds KAs4O6X (X=Cl,Br,I) and NH4As4O6X (X=Br,I): Hydrothermal syntheses and structure determinations","Monatshefte fur Chemie","1988","119","","451","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017774","7.268","","6.123","","3.543","","90","","90","","90","","157.67","","","","","","","","","","","","Synthetic","3","I m m m","-I 2 2","71","","","","- Al F5 Mg -","- Al F5 Mg -","- Al2 F10 Mg2 -","2","0.125","","Weil, M.; Werner, F.","The thermal dehydration of magnesium aluminum pentafluoride dihydrate: crystal structures of MgAlF5(H2O)2 and MgAlF5","Monatshefte fur Chemie","2001","132","","769","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""