# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T07:34:19+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 'X-ray Structure Analysis Online') AND volume = 29 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
"1516772","8.048","0.005","8.682","0.005","12.059","0.008","90","","107.03","0.02","90","","805.6","0.9","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","b-D-fructofuranosyl 4-chloro-4-deoxy-a-D-galactopyranoside","","- C12 H23 Cl O11 -","- C12 H23 Cl O11 -","- C24 H46 Cl2 O22 -","2","1","","Takashi Fujimoto; Daisuke Miura; Akari Iwamoto; Tomoya Machinami; Mitsuru Tashiro","Crystal Structure of β-D-Fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside","X-ray Structure Analysis Online","2013","29","","43","44","10.2116/xraystruct.29.43","","","0.71075","MoKα","","","0.0529","","","","0.1415","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1551676","17.002","0.005","11.984","0.003","24.361","0.007","90","","92.289","0.004","90","","4960","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H41 N7 Ni O2 -","- C58 H41 N7 Ni O2 -","- C232 H164 N28 Ni4 O8 -","4","1","","ISHIMARU, Yoshihiro; YOKOMIZO, Kunihiko; FUJIHARA, Takashi","Crystal Structure of Nickel(II) 5,10,15,20-Tetraphenyl[1,2-c](4′,5′-dimethyl)imidazolylpyrrolo-21-ethylcarboxylporphyrin","X-ray Structure Analysis Online","2013","29","0","39","","10.2116/xraystruct.29.39","","","0.71073","MoKα","","0.1004","0.054","","","0.1188","0.1342","","","","","","0.943","","","","has coordinates","216287","2020-10-21","18:00:00",""
"1551677","7.6144","0.0015","8.48","0.0016","9.714","0.0019","99.026","0.003","112.749","0.003","103.21","0.003","541.72","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Mo2 N2 O8 -","- C20 H22 Mo2 N2 O8 -","- C20 H22 Mo2 N2 O8 -","1","0.5","","MIKURIYA, Masahiro; TAKADA, Shohei; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Acetate and trans-1,2-Bis(4-pyridyl)ethylene in Relation to the N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","33","","10.2116/xraystruct.29.33","","","0.71073","MoKα","","0.037","0.0336","","","0.0884","0.0898","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551678","7.8313","0.0012","8.5393","0.0013","9.9498","0.0014","73.412","0.003","68.894","0.002","73.198","0.003","581.86","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Mo2 N2 O8 -","- C20 H24 Mo2 N2 O8 -","- C20 H24 Mo2 N2 O8 -","1","0.5","","MIKURIYA, Masahiro; KAIHARA, Noriaki; YAMAMOTO, Junya; TAKADA, Shohei; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Acetate and 1,2-Bis(4-pyridyl)ethane Aiming at N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","31","","10.2116/xraystruct.29.31","","","0.71073","MoKα","","0.0387","0.0309","","","0.0665","0.068","","","","","","0.929","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551679","7.9265","0.0013","9.3588","0.0015","10.4003","0.0017","76.579","0.003","72.529","0.002","74.249","0.002","698.7","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 Cl4 N2 -","- C13 H8 Cl4 N2 -","- C26 H16 Cl8 N4 -","2","1","","HANDA, Makoto; IKEUE, Takahisa; HARADA, Yasuko; KIMURA, Yuko; NISHIMURA, Takuya; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Crystal Structure of N,N^|^prime;-Bis(3,5-dichlorophenyl)formamidine","X-ray Structure Analysis Online","2013","29","0","25","","10.2116/xraystruct.29.25","","","0.71073","MoKα","","0.03","0.0276","","","0.0759","0.0771","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551680","16.0463","0.0015","12.8608","0.0008","12.8905","0.0009","90","","90","","90","","2660.2","0.4","93","","93","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H20 Cu2 N4 O13 S -","- C24 H16 Cu2 N4 O14 S -","- C96 H64 Cu8 N16 O56 S4 -","4","0.5","","YOKOYAMA, Takashi; SHIBA, Takuya; YOSHISE, Masakazu; TODA, Masanori; AKASHI, Haruo; ZENKI, Michio","Crystal Structure of a Copper(II)-2-pyridinecarboxylic Acid Anhydride Complex","X-ray Structure Analysis Online","2013","29","0","27","","10.2116/xraystruct.29.27","","","0.71069","MoKα","","","0.0613","","","","0.1709","","","","","","1.066","","","","has coordinates","216291","2020-10-21","18:00:00",""
"1551681","10.274","0.006","15.689","0.01","11.547","0.007","90","","97.202","0.013","90","","1847","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 N2 O8 Rh2 -","- C14 H24 N2 O8 Rh2 -","- C56 H96 N8 O32 Rh8 -","4","0.5","","MIKURIYA, Masahiro; YAMAMOTO, Junya; OUCHI, Kazuya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis, Crystal Structure, and N2-Adsorption Property of a Chain Complex of Rhodium(II) Acetate and 1,4-Diazabicyclo[2.2.2]octane","X-ray Structure Analysis Online","2013","29","0","7","","10.2116/xraystruct.29.7","","","0.71073","MoKα","","0.0883","0.0642","","","0.1509","0.1598","","","","","","0.951","","","","has coordinates","216292","2020-10-21","18:00:00",""
"1551682","16.7521","0.0019","13.8506","0.0016","22.607","0.003","90","","97.146","0.003","90","","5204.7","1.1","295","","295","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44.68 Cu I N2 O6.34 P2 S2 -","- C54 H44.68 Cu I N2 O6.34 P2 S2 -","- C216 H178.72 Cu4 I4 N8 O25.36 P8 S8 -","4","1","","AKUTSU, Hiroki; YAMADA, Jun-ichi; NAKATSUJI, Shin'ichi; TURNER, Scott S.","One-Dimensional Anionic Metal-Organic Chain Generated from (Tetraphenylphosphonium)2benzoquinonediiminedisulfonate and CuI","X-ray Structure Analysis Online","2013","29","0","41","","10.2116/xraystruct.29.41","","","0.71075","MoKα","","","0.059","","","","0.1624","","","","","","1.111","","","","has coordinates","216293","2020-10-21","18:00:00",""
"1551683","8.20888","0.00015","11.6639","0.0002","16.3107","0.0003","96.5985","0.0008","93.8393","0.0008","104.678","0.0008","1493.22","0.05","289","","289","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O3 S2 -","- C15 H13 N O3 S2 -","- C60 H52 N4 O12 S8 -","4","2","","IGARASHI, Ryota; NAGASE, Hiromasa; FURUISHI, Takayuki; ENDO, Tomohiro; TOMONO, Kazuo; UEDA, Haruhisa","Crystal Structure of Epalrestat Non-Solvate","X-ray Structure Analysis Online","2013","29","0","23","","10.2116/xraystruct.29.23","","","1.54187","CuKα","","","0.046","","","","0.1315","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551684","12.68","0.0005","8.173","0.0005","12.949","0.0009","90","","93.602","0.002","90","","1339.3","0.13","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","MARFO-OWUSU, Emmanuel; YABUUCHI, Kazuhiro; KATO, Takashi; WATKIN, David J.","Crystal Structure of a Short Alkyl Chain Pyridine-Based Bisurea Compound: The Effects of Alkyl Chain Length in a Supramolecule Module","X-ray Structure Analysis Online","2013","29","0","49","","10.2116/xraystruct.29.49","","","0.71073","MoKα","","0.0669","0.0585","","0.1798","0.1704","0.1794","","","","","","0.9447","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551685","16.762","0.0017","14.8566","0.0014","22.35","0.002","90","","101.238","0.001","90","","5459","0.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-methyl-2,4,5-triiodoimidazole","","- C4 H3 I3 N2 -","- C4 H3 I3 N2 -","- C96 H72 I72 N48 -","24","3","","MUKAI, Tomohiro; NISHIKAWA, Keiko","Crystal Structure of 1-Methyl-2,4,5-triiodoimidazole: Formation of a Triangular Trimer through Halogen Bonding","X-ray Structure Analysis Online","2013","29","0","13","","10.2116/xraystruct.29.13","","","0.71073","MoKα","","0.0417","0.0316","","","0.0817","0.0897","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551686","17.002","0.005","11.984","0.003","24.361","0.007","90","","92.289","0.004","90","","4960","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H41 N7 Ni O2 -","- C58 H41 N7 Ni O2 -","- C232 H164 N28 Ni4 O8 -","4","1","","ISHIMARU, Yoshihiro; KOBAYASHI, Yuta; FUJIHARA, Takashi","Preparation of Nickel(II) 5,10,15,20-Tetraphenyl[1,2-c]pyrrolo-21-ethylcarboxyl-22-dipyrrylmethylporphyrin","X-ray Structure Analysis Online","2013","29","0","37","","10.2116/xraystruct.29.37","","","0.71073","MoKα","","0.1004","0.054","","","0.1188","0.1342","","","","","","0.943","","","","has coordinates","216297","2020-10-21","18:00:00",""
"1551687","10.0628","0.0016","12.1027","0.0019","14.881","0.002","112.191","0.003","93.081","0.003","108.055","0.003","1565.1","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H82 B2 Mn N6 O6 -","- C66 H82 B2 Mn N6 O6 -","- C66 H82 B2 Mn N6 O6 -","1","0.5","","SUZUKI, Ryo; CHIBA, Yukako; YAMAGUCHI, Ryo; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Synthesis and Crystal Structure of a Trigonally Compressed Hexakis-DMF Manganese(II) Complex","X-ray Structure Analysis Online","2013","29","0","11","","10.2116/xraystruct.29.11","","","0.71073","MoKα","","0.054","0.0389","","","0.0881","0.0929","","","","","","0.927","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551688","4.9578","0.0004","12.2784","0.0012","21.4038","0.0019","90","","93.308","0.002","90","","1300.8","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F3 N2 O4 -","- C11 H11 F3 N2 O4 -","- C44 H44 F12 N8 O16 -","4","1","","WATANABE, Yurie; FUKUYOSHI, Shuichi; ODA, Akifumi; NAKAGAKI, Ryoichi","Crystal Structure of N-[4-Hydroxy-3-nitro-5-(trifluoromethyl)phenyl]-2-methylpropaneamide","X-ray Structure Analysis Online","2013","29","0","35","","10.2116/xraystruct.29.35","","","0.71075","MoKα","","0.0743","0.0604","","","0.1761","0.1866","","","","","","1.105","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551689","12.4224","0.0017","12.5588","0.0018","12.9099","0.0018","61.745","0.002","89.999","0.002","63.942","0.002","1537.8","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H76 B2 Ni O6 S6 -","- C60 H76 B2 Ni O6 S6 -","- C60 H76 B2 Ni O6 S6 -","1","0.5","","SUDO, Reiji; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Structural Features of Hexakis-DMSO Nickel(II) Complex Cations: Pseudo-S6- and Pseudo-S4-Propeller-Like Structures","X-ray Structure Analysis Online","2013","29","0","17","","10.2116/xraystruct.29.17","","","0.71073","MoKα","","0.0508","0.0467","","","0.1279","0.1315","","","","","","1.034","","","","has coordinates,has disorder","216300","2020-10-21","18:00:00",""
"1551690","7.4641","0.0002","12.1483","0.0003","17.1084","0.0004","90","","99.667","0.001","90","","1529.3","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","REVANKAR, Hrishikesh; KULKARNI, Manohar V; KUMAR, G N Anil","Crystal Structure of 6-Methyl-4-[(quinolin-8-yloxy)methyl]-2H-chromen-2-one","X-ray Structure Analysis Online","2013","29","0","5","","10.2116/xraystruct.29.5","","","0.71073","MoKα","","0.0479","0.0353","","","0.0897","0.0989","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551691","7.008","0.005","9.546","0.005","10.621","0.005","87.484","0.005","72.927","0.005","75.686","0.005","657.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(O-propyldithiocarbonato-k2S,S?)(3,5-lutidine-kN)nickel(II)","","- C22 H32 N2 Ni O2 S4 -","- C22 H32 N2 Ni O2 S4 -","- C22 H32 N2 Ni O2 S4 -","1","0.5","","SHARMA, Neerupama; SINGH, Kuldeep; SACHAR, Renu; GUPTA, Vivek K.; Rajnikant,","Crystal Structure of Bis(O-propyldithiocarbonato-^|^kappa;2S,S^|^prime;)(3,5-lutidine-^|^kappa;N)nickel(II)","X-ray Structure Analysis Online","2013","29","0","19","","10.2116/xraystruct.29.19","","","0.71073","MoKα","","0.0501","0.0371","","","0.0872","0.0961","","","","","","1.029","","","","has coordinates","216302","2020-10-21","18:00:00",""
"1551692","14.8578","0.0003","14.9415","0.0003","20.3082","0.0014","109.806","0.008","96.546","0.007","101.774","0.007","4069.5","0.4","93","","93","","","","","","","","","10","P -1","-P 1","2","","","","- C54.5 H71 B3 F6 Mo3 N18 O3.5 P2 Pd S13 -","- C54.5 H55 B3 F6 Mo3 N18 O3.5 P2 Pd S13 -","- C109 H110 B6 F12 Mo6 N36 O7 P4 Pd2 S26 -","2","1","","YOSHIDA, Ryouichi; SATO, Hiroyasu; AKASHI, Haruo","Synthesis and Crystal Structure of a Sulfur-bridged Cubane-type Molybdenum-Palladium Cluster with a Hydrotris(methimazolyl)borate Ligand","X-ray Structure Analysis Online","2013","29","0","3","","10.2116/xraystruct.29.3","","","1.54187","CuKα","","0.0574","0.0507","","","","0.1496","","","","","","1.051","","","","has coordinates","216303","2020-10-21","18:00:00",""
"1551693","21.3695","0.0018","21.3695","0.0018","9.6278","0.0012","90","","90","","90","","4396.6","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C42 H44 N6 O8 Rh2 -","- C42.08 H44.16 N6 O8 Rh2 -","- C168.32 H176.64 N24 O32 Rh8 -","4","0.5","","MIKURIYA, Masahiro; YAMAMOTO, Junya; OUCHI, Kazuya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Rhodium(II) Benzoate and 1,4-Diazabicyclo[2.2.2]octane Having an N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","45","","10.2116/xraystruct.29.45","","","0.71073","MoKα","","0.095","0.0417","","","0.072","0.0825","","","","","","0.873","","","","has coordinates","216304","2020-10-21","18:00:00",""
"1551694","24.937","0.005","13.211","0.003","8.848","0.0019","90","","94.189","0.003","90","","2907.1","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O10 Rh2 -","- C20 H24 N2 O10 Rh2 -","- C80 H96 N8 O40 Rh8 -","4","0.5","","MIKURIYA, Masahiro; YAMAMOTO, Junya; OUCHI, Kazuya; TAKADA, Shohei; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Rhodium(II) Acetate and 1,2-Bis(4-pyridyl)ethane having an N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","29","","10.2116/xraystruct.29.29","","","0.71073","MoKα","","0.0921","0.0356","","","0.0809","0.0863","","","","","","0.819","","","","has coordinates,has disorder","216305","2020-10-21","18:00:00",""
"1551695","10.812","0.003","11.393","0.003","15.331","0.004","71.014","0.005","87.963","0.005","76.451","0.005","1734.4","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N4 O8 Rh2 -","- C36 H36 N4 O8 Rh2 -","- C72 H72 N8 O16 Rh4 -","2","1","","MIKURIYA, Masahiro; OUCHI, Kazuya; NAKANISHI, Yasutaka; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis, Crystal Structure, and N2-Adsorption Property of a Chain Complex of Rhodium(II) Benzoate and Piperazine","X-ray Structure Analysis Online","2013","29","0","21","","10.2116/xraystruct.29.21","","","0.71073","MoKα","","0.0779","0.0558","","","0.1292","0.1367","","","","","","0.988","","","","has coordinates,has disorder","216306","2020-10-21","18:00:00",""
"1551696","10.8689","0.0004","10.5644","0.0003","12.9608","0.0004","90","","94.606","0.003","90","","1483.4","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2-Methyl-4-nitro-1H-imidazol-1-yl)-N'- [(1E)-1-phenylethylidene]acetohydrazide","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","","VINUTHA, N.; FRANK, Priya V.; KALLURAYA, Balakrishna; ANTHAL, Sumati; Rajnikant,; GUPTA, Vivek K.; REVANNASIDDAIAH, D.","Crystal Structure of 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)-N^|^prime;-[(1E)-1-phenylethylidene]acetohydrazide","X-ray Structure Analysis Online","2013","29","0","9","","10.2116/xraystruct.29.9","","","0.71073","MoKα","","0.0691","0.0474","","","0.1148","0.1274","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551697","9.4079","0.0001","10.7323","0.0002","11.7498","0.0002","90","","96.443","0.001","90","","1178.87","0.03","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(O-propylxanthato)bis(3-chloropyridine)nickel(II)","","- C18 H22 Cl2 N2 Ni O2 S4 -","- C18 H22 Cl2 N2 Ni O2 S4 -","- C36 H44 Cl4 N4 Ni2 O4 S8 -","2","0.5","","SINGH, Kuldeep; KOUR, Inderjeet; KOUR, Gurpreet; SACHAR, Renu; GUPTA, Vivek K.; Rajnikant,","Synthesis and X-ray Crystal Structure of Bis(O-propylxanthato)-bis(3-chloropyridine)nickel(II)","X-ray Structure Analysis Online","2013","29","0","15","","10.2116/xraystruct.29.15","","","0.71073","MoKα","","0.0283","0.023","","","0.057","0.0614","","","","","","1.086","","","","has coordinates","216308","2020-10-21","18:00:00",""