# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T18:31:39+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 'X-ray Structure Analysis Online') AND volume = 36 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
"1557220","10.331","0.0008","12.6786","0.001","24.3519","0.0019","90","","90","","90","","3189.7","0.4","90","2","90","2","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","MIKURIYA, Masahiro; TANIGUCHI, Kazuki; KOYAMA, Yoshiki; WATANABE, Hiroaki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; ASATO, Eiji","Crystal Structure of S<sub>8</sub> Molecule from Thiourea","X-ray Structure Analysis Online","2020","36","0","1","2","10.2116/xraystruct.36.1","","","0.71073","MoKα","","0.0261","0.022","","","0.0563","0.057","","","","","","1.057","","","","has coordinates","258170","2020-10-21","18:00:00",""
"1557469","7.5349","0.0006","8.6378","0.0007","8.9921","0.0007","64.087","0.001","81.565","0.001","69.348","0.001","492.56","0.07","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- Cr H28 Na3 O22 -","- Cr H28 Na3 O22 -","- Cr H28 Na3 O22 -","1","0.5","","MIKURIYA, Masahiro; HIROSHIMA, Shuichi; KOYAMA, Yoshiki; TERADA, Keisuke; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Preparation and Crystal Structure of Sodium Tetraperoxidochromate(V)","X-ray Structure Analysis Online","2020","36","0","3","5","10.2116/xraystruct.36.3","","","0.71073","MoKα","","0.0326","0.0277","","","0.0703","0.0722","","","","","","1.045","","","","has coordinates","258162","2020-10-21","18:00:00",""
"1557741","10.402","0.0008","22.6864","0.0017","12.1807","0.001","90","","92.034","0.001","90","","2872.6","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Mn2 N2 O12 -","- C26 H32 Mn2 N2 O12 -","- C104 H128 Mn8 N8 O48 -","4","1","","MIKURIYA, Masahiro; KOYAMA, Yoshiki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Dinuclear Manganese(III) Complex with a Schiff-base Having a Di-μ-acetato-μ-alkoxido-bridged Core","X-ray Structure Analysis Online","2020","36","0","7","9","10.2116/xraystruct.36.7","","","0.71073","MoKα","","0.0793","0.0495","","","0.1063","0.1218","","","","","","1.006","","","","has coordinates,has disorder","258171","2020-10-21","18:00:00",""
"1558000","23.232","0.005","7.4413","0.0014","15.361","0.004","90","","106.818","0.005","90","","2542","1","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 -","- C17 H11 N3 -","- C136 H88 N24 -","8","2","","AYARI, Sami; HIRABAYASHI, Kazunori; SHIMIZU, Toshio; JAMOUSSI, Bassem; SAGLAM, Mehmet F.; ATILLA, Devrim; SUGIURA, Ken-ichi","Crystal Structure of 3-(3-Methyl-1<i>H</i>-indole-1-yl)phthalonitrile","X-ray Structure Analysis Online","2020","36","0","11","13","10.2116/xraystruct.36.11","","","0.71075","MoKα","","0.137","0.0647","","","0.1276","0.1586","","","","","","0.999","","","","has coordinates","258167","2020-10-21","18:00:00",""
"1558184","12.7006","0.0004","10.0271","0.0005","20.1044","0.001","90","","106.525","0.003","90","","2454.55","0.19","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Compound X","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","2","","RESENDE, Pamela C. S.; COURI, Mara R. C.; MIGUEL, Fábio B.; CUIN, Alexandre","Analytical, Spectroscopic and Crystallographic Characterization of 3-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]pentane-2,4-dione","X-ray Structure Analysis Online","2020","36","0","15","16","10.2116/xraystruct.36.15","","x-ray","0.71073","MoKα","","0.1494","0.0831","","","0.2238","0.2565","","","","","","1.045","","","","has coordinates","258168","2020-10-21","18:00:00",""
"1558493","6.473","0.003","9.639","0.005","8.579","0.004","90","","100.009","0.007","90","","527.1","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F6 H12 Mn O6 Si -","- F6 H12 Mn O6 Si -","- F12 H24 Mn2 O12 Si2 -","2","0.5","","MIKURIYA, Masahiro; WATANABE, Nanami; KOYAMA, Yoshiki; YOSHIOKA, Daisuke; OGAWA, Junya; MITSUHASHI, Ryoji; HANDA, Makoto","Crystal Structure and Magnetic Property of Manganese(II) Hexafluorosilicate Hexahydrate","X-ray Structure Analysis Online","2020","36","0","17","19","10.2116/xraystruct.36.17","","","0.71073","MoKα","","0.0481","0.033","","","0.0694","0.0734","","","","","","1.097","","","","has coordinates,has disorder","258163","2020-10-21","18:00:00",""
"1558793","9.9415","0.0001","15.8691","0.0003","10.216","0.0002","90","","118.805","0.001","90","","1412.28","0.04","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Integration","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C60 H40 Br8 N8 -","4","1","","O’SHEA, Donal F.; SOMMER, Roger D.; TANIGUCHI, Masahiko; LINDSEY, Jonathan S.","Crystal Structure of 1,9-Dibromo-5-phenyldipyrrin, Tetrapyrrole Synthesis Derivative and Free Base Ligand of BODIPY Building Blocks","X-ray Structure Analysis Online","2020","36","0","21","22","10.2116/xraystruct.36.21","","","0.7107","MoKα","","0.038","0.0266","","","0.0599","0.0653","","","","","","1.032","","","","has coordinates","258164","2020-10-21","18:00:00",""
"1558794","11.1387","0.0005","11.5941","0.0005","21.7622","0.0009","88.1955","0.0013","76.0524","0.0014","79.232","0.0011","2679.3","0.2","90","","90","","","","","","","","","7","P -1","-P 1","2","C33H33N6OCo2(C6F5CO2)2(ClO4)2(Et2O)","","","- C51 H43 Cl2 Co2 F10 N6 O14 -","- C51 H43 Cl2 Co2 F10 N6 O14 -","- C102 H86 Cl4 Co4 F20 N12 O28 -","2","1","","SHINDE, Naho; FURUTACHI, Hideki; SAKATA, Yoko; AKINE, Shigehisa; FUJINAMI, Shuhei; SUZUKI, Masatatsu","Crystal Structure of (μ-Phenoxo)bis(μ-pentafluorobenzoate)dicobalt(II, III) Complex with a Dinucleating Ligand","X-ray Structure Analysis Online","2020","36","0","23","25","10.2116/xraystruct.36.23","","","1.54178","CuKα","","0.039","0.037","","","0.1004","0.1028","","","","","","1.036","","","","has coordinates,has disorder","258169","2020-10-21","18:00:00",""
"1558991","26.951","0.003","10.8492","0.0008","21.899","0.003","90","","125.39","0.019","90","","5220.1","1.6","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Fe N8 O8 S2 -","- C62 H44 Fe N8 O8 S2 -","- C248 H176 Fe4 N32 O32 S8 -","4","0.5","","SUGIYAMA, Haruki; UEKUSA, Hidehiro","Crystal Structure and Chromic Properties of an Iron(II) Complex Salt of a <i>N</i>-Salicylideneaniline Derivative","X-ray Structure Analysis Online","2020","36","0","31","32","10.2116/xraystruct.36.31","","","0.71073","MoKα","","0.071","0.0493","","","0.1266","0.1422","","","","","","1.063","","","","has coordinates","258165","2020-10-21","18:00:00",""
"1558992","11.929","0.007","16.833","0.006","11.259","0.011","93.75","0.05","91","0.07","100.37","0.04","2218","3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 B N O4 -","- C22 H32 B N O4 -","- C88 H128 B4 N4 O16 -","4","2","","TOMBUL, Mustafa; BIYIKOGLU, Mutluhan; BULUT, Adnan; GÜVEN, Kutalmis; ISILAR, Özer","Synthesis and Crystal Structure Determination of a Dimeric Complex of Dimethylammoniumbis(<i>p-tert</i>-butylcatecholato) borate","X-ray Structure Analysis Online","2020","36","0","27","29","10.2116/xraystruct.36.27","","","0.71069","MoKα","","0.3117","0.077","","","0.1824","0.2738","","","","","","0.999","","","","has coordinates","258166","2020-10-21","18:00:00",""
"1559272","9.47","0.003","15.53","0.004","7.34","0.002","90","","92.147","0.009","90","","1078.7","0.5","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Br4 -","- C10 H4 Br4 -","- C40 H16 Br16 -","4","1","","HOSSAIN, Md Awlad; HIRABAYASHI, Kazunori; NISHINAGA, Tohru; SHIMIZU, Toshio; SUGIURA, Ken-ichi","Crystal Structure Refinement of 1,4,5,8-Tetrabromonaphthalene: A Twisted Chiral Naphthalene Induced by Steric Repulsion","X-ray Structure Analysis Online","2020","36","0","35","37","10.2116/xraystruct.36.35","","","0.71075","MoKα","","0.0332","0.0249","","","0.0555","0.0572","","","","","","0.715","","","","has coordinates","258160","2020-10-21","18:00:00",""
"1559273","10.2053","0.0018","33.277","0.006","8.8733","0.0015","90","","113.904","0.003","90","","2754.9","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N7 O4 Ru -","- C30 H34 N7 O4 Ru -","- C120 H136 N28 O16 Ru4 -","4","1","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Tris[2-(2-imidazolinyl)phenolato]ruthenium(III)","X-ray Structure Analysis Online","2020","36","0","33","34","10.2116/xraystruct.36.33","","","0.71073","MoKα","","0.1168","0.0711","","","0.135","0.1487","","","","","","1.027","","","","has coordinates","258161","2020-10-21","18:00:00",""
"1559467","11.549","0.006","9.849","0.005","14.25","0.008","90","","91.898","0.007","90","","1620","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 N2 O9 Ru2 S -","- C24 H43 N2 O9 Ru2 S -","- C48 H86 N4 O18 Ru4 S2 -","2","0.5","","HANDA, Makoto; ISHIDA, Hideaki; YOSHIOKA, Daisuke; KUGITA, Fumiaki; HIROMITSU, Ichiro; KASUGA, Kuninobu; MIKURIYA, Masahiro","Crystal Structure of a Lantern-type Diruthenium(II,III) Complex with Axial Thiocyanato and DMF Ligands, [Ru<sub>2</sub>(O<sub>2</sub>CCMe<sub>3</sub>)<sub>4</sub>(NCS)(DMF)]","X-ray Structure Analysis Online","2020","36","0","39","41","10.2116/xraystruct.36.39","","","0.71073","MoKα","","0.059","0.0389","","","0.0857","0.0916","","","","","","1.081","","","","has coordinates,has disorder","258998","2020-11-06","13:29:23",""
"1559468","9.0997","0.0001","14.0995","0.0002","14.9908","0.0002","90","","90","","90","","1923.34","0.04","93.15","","93.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[3-(1,4,7,10-tetraazacyclododecam-1-yl)propan-1-amine]zinc(II)","","- C11 H27 Cl2 N5 O8 Zn -","- C11 H27 Cl2 N5 O8 Zn -","- C44 H108 Cl8 N20 O32 Zn4 -","4","1","","ICHIMARU, Yoshimi; IMAI, Masanori; FUJIOKA, Haruto; HIEDA, Yuhzo; KOIKE, Tohru; KUROSAKI, Hiromasa; KATO, Koichi","Crystal Structure of [3-(1,4,7,10-Tetraazacyclododecan-1-yl)propan-1-amine]zinc(II) Bis(perchlorate), [Zn<sup>II</sup>L](ClO<sub>4</sub>)<sub>2</sub>","X-ray Structure Analysis Online","2020","36","0","43","44","10.2116/xraystruct.36.43","","x-ray","1.54184","CuKa","","0.0218","0.0214","","","0.0535","0.0538","","","","","","1.06","","","","has coordinates","258999","2020-11-06","13:29:47",""
"1559710","16.0352","0.0004","5.5514","0.0001","17.2061","0.0004","90","","100.324","0.003","90","","1506.85","0.06","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2'Z,3'E)-3'-(Hydroxyimino)-5-methoxy-[2',3-biindolinylidene]-2-one","","- C18 H16 N3 O3.5 -","- C18 H16 N3 O3.5 -","- C72 H64 N12 O14 -","4","1","","NAKAMURA, Niina; ICHIMARU, Yoshimi; KATO, Koichi; SANO, Makoto; KUROSAKI, Hiromasa; HAYASHI, Kazuhiko; MIYAIRI, Shinichi","Crystal Structure of 5-Methoxyindirubin 3′-Oxime","X-ray Structure Analysis Online","2020","36","0","47","48","10.2116/xraystruct.36.47","","x-ray","1.54184","CuKα","","0.0616","0.0524","","","0.1354","0.1411","","","","","","1.055","","","","has coordinates,has disorder","259630","2020-12-06","15:01:01",""
"1559711","13.569","0.0002","14.2212","0.0002","7.5004","0.0001","90","","90","","90","","1447.33","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H17 I O -","- C17 H17 I O -","- C68 H68 I4 O4 -","4","1","","BLANGETTI, Marco; O’SHEA, Donal F.","Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality","X-ray Structure Analysis Online","2020","36","0","45","46","10.2116/xraystruct.36.45","","","1.54184","CuKα","","0.029","0.0281","","","0.0733","0.0741","","","","","","1.052","","","","has coordinates","259631","2020-12-06","15:01:22",""
"1559972","12.1056","0.0008","5.5177","0.0004","12.5617","0.0008","90","","90.063","0.002","90","","839.06","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 F N3 S -","- C7 H8 F N3 S -","- C28 H32 F4 N12 S4 -","4","1","","OSMAN, Uwaisulqarni M.; SILVARAJOO, Sharmili; BHAT, Irshad Ul Haq; RAZALI, Mohd Hasmizam; ROZAINI, Mohd Zul Helmi; RAVOOF, Thahira Begum S. A.","Crystal Structure of (<i>Z</i>)-4-[4-Fluorophenyl]thiosemicarbazide<sup>4</sup>","X-ray Structure Analysis Online","2020","36","0","49","50","10.2116/xraystruct.36.49","","","0.71073","MoKα","","0.0946","0.0549","","","0.1196","0.1377","","","","","","1.044","","","","has coordinates","260830","2021-01-07","07:21:47",""