# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T03:08:42+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 'Zeitschrift fur Kristallographie - New Crystal Structures') AND volume = 236 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
"8104546","21.3992","0.0017","5.9311","0.0004","5.2923","0.0004","90","","90","","90","","671.7","0.09","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","<i>meta</i>-bromonitrobenzene","3-bromonitrobenzene","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C24 H16 Br4 N4 O8 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of 3-bromonitrobenzene at 200 K, C6H4BrNO2 – temperature effects on cell constants","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1131","1133","10.1515/ncrs-2021-0226","","","0.71073","MoKα","","0.0364","0.0284","","","0.0681","0.0708","","","","","","1.089","","","","has coordinates","272834","2022-02-07","12:30:24",""
"8104547","4.6967","0.0007","10.7175","0.0016","12.945","0.002","90","","94.827","0.008","90","","649.3","0.17","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Yoo, Miri; Koh, Dongsoo","Crystal structure of (E)-ethyl 2-((4-oxo-4H-chromen-3-yl)methyleneaminooxy)acetate, C14H13NO5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1135","1137","10.1515/ncrs-2021-0247","","","0.71073","MoKα","","0.1393","0.0577","","","0.1038","0.1302","","","","","","1.013","","","","has coordinates","272836","2022-02-07","12:38:27",""
"8104548","7.8016","0.0007","13.1609","0.001","30.536","0.002","90","","90","","90","","3135.3","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 F N O3 -","- C36 H52 F N O3 -","- C144 H208 F4 N4 O12 -","4","1","","Zhang, Mei; Meng, Qing-Guo; Hou, Gui-Ge; Jiang, Sheng; Jin, Yong-Sheng; Gao, Yue","Crystal structure of (8R,10R,14R, Z)-2-((3–Fluoropyridin-4-yl) methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6, 6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-3H-cyclopenta[a] phenanthren-3-one, C36H52FNO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1139","1142","10.1515/ncrs-2021-0248","","","0.71073","MoKα","","0.0962","0.0657","","","0.13","0.1435","","","","","","0.982","","","","has coordinates","272837","2022-02-07","12:41:58",""
"8104549","22.743","0.004","8.0434","0.0015","8.9388","0.0017","90","","94.159","0.003","90","","1630.9","0.5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cl2 Cu N2 O2 -","- C17 H14 Cl2 Cu N2 O2 -","- C68 H56 Cl8 Cu4 N8 O8 -","4","0.5","","Wei, Baiying; Cao, Chenzhong","Crystal structure of [6,6′-((1E,1′E)-(propane-1,3- diylbis(azaneylylidene))bis(methaneylylidene)) bis(3-chlorophenol)-κ 4 N,N′,O,O′] copper(II), C17H14Cl2CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1143","1144","10.1515/ncrs-2021-0249","","","0.71073","MoKα","","0.0493","0.0376","","","0.0932","0.0997","","","","","","1.083","","","","has coordinates,has disorder","272869","2022-02-09","09:11:08",""
"8104550","23.747","0.0019","5.4355","0.0004","15.3336","0.0011","90","","127.291","0.002","90","","1574.6","0.2","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C48 H56 Br8 N16 O16 -","8","1","","Cui, Mengbing; Zeng, Yan; Li, Yong; Chen, Heng","The crystal structure of 6-amino-2-carboxypyridin-1-ium bromide, C6H7BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1145","1146","10.1515/ncrs-2021-0251","","","0.71073","MoKα","","0.0461","0.0292","","","0.0696","0.0756","","","","","","1.092","","","","has coordinates","272870","2022-02-09","09:17:48",""
"8104551","19.5909","0.0011","10.8023","0.0006","14.5722","0.0008","90","","112.032","0.001","90","","2858.7","0.3","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl N4 Na Ni2 O8 -","- C24 H36 Cl N4 Na Ni2 O8 -","- C96 H144 Cl4 N16 Na4 Ni8 O32 -","4","0.5","","Dey, Lucky; Rabi, Saswata; Begum, Zinnat A.; Takase, Tsugiko; Rahman, Ismail M.M.; Tiekink, Edward R.T.; Roy, Tapashi Ghosh","Redetermination of the crystal structure of bis[N,N′-ethylenebis(acetylacetoniminato)nickel(II)] sodium perchlorate, C24H36ClN4NaNi2O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1147","1150","10.1515/ncrs-2021-0254","","","0.71075","MoKα","","0.0269","0.026","","","0.0695","0.0701","","","","","","1.053","","","","has coordinates","272871","2022-02-09","09:49:24",""
"8104552","9.5931","0.0016","17.332","0.003","9.8989","0.0014","90","","94.902","0.005","90","","1639.8","0.5","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Jiayuan, He; Yunzhang, Liu; Kaiyue, Zhang; Lizhen, Chen; Jianlong, Wang","The crystal structure of 3-methyl-2,6-dinitrophenol, C7H6N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1151","1153","10.1515/ncrs-2021-0255","","","0.71073","MoKα","","0.1109","0.0619","","","0.1502","0.1784","","","","","","1.029","","","","has coordinates","272872","2022-02-09","09:53:37",""
"8104553","7.8944","0.0004","8.0678","0.0005","12.6285","0.0009","74.627","0.006","78.654","0.005","63.569","0.005","691.58","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H9 Cl N2 O2 -","- C17 H9 Cl N2 O2 -","- C34 H18 Cl2 N4 O4 -","2","1","","Zhang, Wei; Zhang, Yu; Feng, Song-Hao; Wang, Jing-Jing","The crystal structure of 5-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1155","1156","10.1515/ncrs-2021-0256","","x-ray","1.54184","CuKα","","0.0447","0.0431","","","0.1292","0.1309","","","","","","1.074","","","","has coordinates","272873","2022-02-09","09:59:24",""
"8104554","7.7951","0.0003","9.3511","0.0004","11.3352","0.0004","93.345","0.003","105.499","0.004","104.913","0.004","762.19","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Co N2 O20 -","- C28 H28 Co N2 O20 -","- C28 H28 Co N2 O20 -","1","0.5","","Du, Xigang","Crystal structure of trans-tetraaqua-bis{2-carboxy-4-((5-carboxypyridin-3-yl)oxy)benzoato-κ1 N}cobalt(II) dihydrate C28H28O20N2Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1157","1159","10.1515/ncrs-2021-0257","","x-ray","0.71073","MoKα","","0.0378","0.0339","","","0.0781","0.0798","","","","","","1.053","","","","has coordinates","272874","2022-02-09","10:13:32",""
"8104555","24.193","0.004","5.8614","0.001","13.873","0.003","90","","93.168","0.003","90","","1964.3","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br O2 -","- C23 H23 Br O2 -","- C92 H92 Br4 O8 -","4","1","","Xu, Xue-Li; Li, Jihong","Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-(p-tolyl)furan, C23H23BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1161","1163","10.1515/ncrs-2021-0258","","","0.71073","MoKα","","0.0458","0.0316","","","0.0864","0.0915","","","","","","1.017","","","","has coordinates","272875","2022-02-09","10:17:12",""
"8104556","11.3366","0.0011","11.0253","0.0011","23.716","0.002","90","","100.839","0.002","90","","2911.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 N3 O10 Ti -","- C28 H27 Cl2 N3 O10 Ti -","- C112 H108 Cl8 N12 O40 Ti4 -","4","1","","Li, Shanjia; Wang, Peng; Ji, Mingyu; Yang, Mingjun; Pu, Xiuying; Zhao, Tiankun","The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(benzo[d][1,3]dioxol-5-ol ato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV)-dichloromethane(1/1), C27H25N3O10Ti","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1165","1167","10.1515/ncrs-2021-0260","","x-ray","0.71073","MoKα","","0.1596","0.0615","","","0.1155","0.1411","","","","","","0.901","","","","has coordinates,has disorder","272876","2022-02-09","10:20:07",""
"8104557","12.5131","0.0007","16.4675","0.0009","8.1488","0.0004","90","","107.361","0.005","90","","1602.64","0.15","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N10 O6 -","- C10 H16 N10 O6 -","- C40 H64 N40 O24 -","4","0.5","","Jin, Ze-Sen; Liu, E.; Liu, Xiao-Jing; Li, Zhuang-Yu; Jian, Fang-fang; Liang, Tongling","Crystal structure of (((1E,1′E)-1,2-phenylenebis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(aminomethaniminium) dinitrate C10H16N10O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1169","1170","10.1515/ncrs-2021-0263","","x-ray","0.71073","MoKα","","0.0452","0.038","","","0.1138","0.118","","","","","","1.108","","","","has coordinates","272877","2022-02-09","10:24:57",""
"8104558","14.7476","0.0015","19.6335","0.0019","10.8116","0.0011","90","","104.334","0.002","90","","3033","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N8 Ni O8 -","- C28 H34 N8 Ni O8 -","- C112 H136 N32 Ni4 O32 -","4","1","","Xi, Fei; Gao, Yan-Hong; Tang, Bo; Ge, Hong-Guang; Wang, Qin; Lu, Jiu-Fu","Crystal structure of catena-poly[triaqua-(μ 2-1,3-di(1H-imidazol-1-yl)propane-κ 2 N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ 1 O)nickel(II)]N,N′-dimethylformamide (1/1), C28H35N8O8Ni","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1171","1173","10.1515/ncrs-2021-0264","","","0.71073","MoKα","","0.1098","0.0548","","","0.0829","0.0961","","","","","","1.025","","","","has coordinates","272878","2022-02-09","10:28:15",""
"8104559","8.593","0.0004","12.0814","0.0005","12.243","0.0005","69.805","0.002","75.282","0.001","86.733","0.002","1153.07","0.09","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cl4 N4 O -","- C19 H24 Cl4 N4 O -","- C38 H48 Cl8 N8 O2 -","2","1","","Song, Wenqi; Yang, Miaoxiu; Qian, Liwei; Miao, Zongcheng","The crystal structure of 3,3′-[1,4-phenylenebis(methylene)]bis(1-ethenyl-1H-imidazol-3-ium) dichloride – dichloromethane – water (1/1/1), C19H24Cl4N4O1","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1175","1177","10.1515/ncrs-2021-0266","","","0.71073","MoKα","","0.0507","0.0411","","","0.0981","0.1053","","","","","","1.028","","","","has coordinates,has disorder","272879","2022-02-09","10:31:33",""
"8104560","25.252","0.003","8.3297","0.0009","23.268","0.002","90","","116.271","0.001","90","","4388.7","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 F12 N4 P2 -","- C13 H22 F12 N4 P2 -","- C104 H176 F96 N32 P16 -","8","2","","Liu, Xin-Ting; Nie, Xu-Liang; Chen, Shi-Shun; Wu, Su-Qin; Xiong, Wan-Ming","Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C13H22F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1179","1182","10.1515/ncrs-2021-0269","","","0.71073","MoKα","","0.1032","0.0661","","","0.1859","0.2191","","","","","","1.045","","","","has coordinates,has disorder","272880","2022-02-09","10:34:28",""
"8104561","13.4238","0.0001","18.2079","0.0002","5.7617","0.0001","90","","95.506","0.001","90","","1401.77","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl4 Sn -","- C12 H8 Cl4 Sn -","- C48 H32 Cl16 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-chlorophenyl-κC 1)tin(IV), C12H8Cl4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1183","1185","10.1515/ncrs-2021-0271","","","1.54184","CuKα","","0.0274","0.0272","","","0.0795","0.0798","","","","","","1.081","","","","has coordinates","272881","2022-02-09","10:37:08",""
"8104562","10.132","0.002","10.654","0.002","11.73","0.002","90.31","0.03","102.38","0.03","104.81","0.03","1193.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H12 O -","- C18 H12 O -","- C72 H48 O4 -","4","2","","Ran, Zhang; Hui, Wang; Bao-Xi, Miao; Li-Fang, Zhang","Synthesis and crystal structure of 4-acetylpyrene, C18H12O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1187","1190","10.1515/ncrs-2021-0272","","","0.71073","MoKα","","0.0529","0.0403","","","0.1004","0.1037","","","","","","0.978","","","","has coordinates","272882","2022-02-09","10:40:28",""
"8104563","11.0474","0.0003","6.0853","0.0002","13.9881","0.0004","90","","104.271","0.002","90","","911.36","0.05","100","2","99.94","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Orang-o, Daniel M.; Onani, Martin O.; Tarus, Paul K.; Lutta, Samuel T.; Lalancette, Roger A.","Crystal structure of 2,2′-(butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol), C20H24N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1191","1193","10.1515/ncrs-2021-0273","","","1.54184","CuKα","","0.0333","0.029","","","0.0705","0.0728","","","","","","1.06","","","","has coordinates","272883","2022-02-09","10:44:25",""
"8104564","11.064","0.003","11.538","0.003","12.257","0.003","107.146","0.003","96.968","0.003","117.85","0.003","1258.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 N3 O S2 Sn -","- C27 H21 N3 O S2 Sn -","- C54 H42 N6 O2 S4 Sn2 -","2","1","","Sun, Junshan","The crystal structure of (E)-2-(((5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)imino)methyl)phenol, C27H21N3OS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1195","1197","10.1515/ncrs-2021-0275","","","0.71073","MoKα","","0.0453","0.0316","","","0.0617","0.0664","","","","","","1.061","","","","has coordinates","273048","2022-02-21","09:14:48",""
"8104565","9.469","0.0006","12.9374","0.0006","13.2303","0.0007","63.395","0.005","74.291","0.005","69.113","0.005","1341.9","0.14","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O8 Pb -","- C27 H29 N3 O8 Pb -","- C54 H58 N6 O16 Pb2 -","2","1","","Tai, Xi-Shi; Liang, Lei; Li, Xiang-Tao; Cao, Shu-Hua; Wang, Li-Hua","Crystal structure of diaqua-bis(μ2-6-phenylpyridine-2-carboxylate-κ3N,O:O)-bis(6-phenylpyridine-2-carboxylato-κ2N,O)lead(II) – N,N-dimethylformamide – water (1/2/4), C54H58N6O16Pb2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1199","1201","10.1515/ncrs-2021-0277","","x-ray","0.71073","MoKα","","0.0333","0.0284","","","0.0464","0.0484","","","","","","0.99","","","","has coordinates","273049","2022-02-21","09:27:15",""
"8104566","5.5523","0.0007","12.761","0.0017","15.374","0.002","90","","90","","90","","1089.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 4-acetoxy-3-methoxybenzoate","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Xiao, Pan-Lei; Song, Xiu-Ying; Yang, Chen-Yu; Nie, Xu-Liang; Wang, Yi-Hua","Crystal structure of methyl 4-acetoxy-3-methoxybenzoate, C11H12O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1203","1205","10.1515/ncrs-2021-0278","","","0.71073","MoKα","","0.0309","0.0273","","","0.0749","0.0787","","","","","","1.03","","","","has coordinates","273050","2022-02-21","09:33:59",""
"8104567","19.3063","0.0004","5.832","0.0001","14.7996","0.0003","90","","92.715","0.001","90","","1664.48","0.06","100","2","100.07","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Orang-o, Daniel M.; Onani, Martin O.; Tarus, Paul K.; Lutta, Samuel T.; Lalancette, Roger A.","Crystal structure of 2,2′-(propane-1,3-dilylbis(azaneylylidene))bis(methanylylidene)bis(4-methylphenol), C19H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1207","1209","10.1515/ncrs-2021-0279","","","1.54178","CuKα","","0.0464","0.0423","","","0.1076","0.1102","","","","","","1.03","","","","has coordinates","273051","2022-02-21","09:39:34",""
"8104568","8.2912","0.0001","9.6221","0.0001","18.5616","0.0002","90","","90","","90","","1480.82","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl2 Sn -","- C14 H14 Cl2 Sn -","- C56 H56 Cl8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-methylphenyl-κC 1)tin(IV), C14H14Cl2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1211","1213","10.1515/ncrs-2021-0281","","","1.54184","CuKα","","0.0143","0.0142","","","0.0346","0.0347","","","","","","1.035","","","","has coordinates","273052","2022-02-21","09:44:06",""
"8104569","16.071","0.006","9.424","0.004","7.64","0.003","90","","101.861","0.005","90","","1132.4","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methyl (E)-3-(4-acetoxyphenyl)acrylate","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Gu, Jia; Song, Xiu-Ying; Wang, Gui-Shu; Peng, Jun; Nie, Xu-Liang","Crystal structure of methyl (E)-3-(4-acetoxyphenyl)acrylate, C12H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1215","1217","10.1515/ncrs-2021-0282","","","0.71073","MoKα","","0.0447","0.0366","","","0.0947","0.1043","","","","","","1.049","","","","has coordinates","273053","2022-02-21","09:50:49",""
"8104570","17.2971","0.0003","14.4409","0.0003","9.5617","0.0002","90","","90.58","0.002","90","","2388.25","0.08","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cu0.5 N O2 -","- C14 H11 Cu0.5 N O2 -","- C112 H88 Cu4 N8 O16 -","8","1","","Yang, Fei; Liu, Pengju; Guo, Libing; Xian, Dong","The crystal structure of bis(benzoato-κ2 O,O′)-(2,9-dimethyl-1,10-phenanthroline-κ2 N,N′)-copper(II), C28H22CuN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1219","1221","10.1515/ncrs-2021-0283","","x-ray","1.54184","CuKα","","0.0567","0.0536","","","0.1365","0.1406","","","","","","1.083","","","","has coordinates","273054","2022-02-21","09:54:55",""
"8104571","10.4368","0.0001","10.4368","0.0001","61.5166","0.0011","90","","90","","90","","6700.81","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C37 H56 N O4.5 -","- C37 H56 N O4.5 -","- C296 H448 N8 O36 -","8","1","","Luo, Qin; Meng, Qing-Guo; Hou, Gui-Ge; Jiang, Sheng; Jin, Yong-Sheng; Gao, Yue","Crystal structure of (8R,10R,14R,Z)-12-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one–water (2/1), C37H56NO4.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1223","1226","10.1515/ncrs-2021-0284","","x-ray","1.54178","CuKα","","0.076","0.0557","","","0.1256","0.135","","","","","","1.121","","","","has coordinates,has disorder","273055","2022-02-21","09:59:36",""
"8104572","12.9848","0.0002","18.9911","0.0002","6.055","0.0001","90","","99.136","0.001","90","","1474.19","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Sn -","- C14 H14 Br2 Sn -","- C56 H56 Br8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.","Crystal structure of dimethyl-bis(4-bromophenyl-κC 1)tin(IV), C14H14Br2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1227","1229","10.1515/ncrs-2021-0287","","","1.54184","CuKα","","0.0201","0.0193","","","0.0483","0.049","","","","","","1.058","","","","has coordinates","273056","2022-02-21","10:02:55",""
"8104573","7.609","0.004","13.938","0.006","19.19","0.009","77.599","0.007","89.846","0.007","79.841","0.007","1955.2","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 Cl2 F24 O16 Sn8 -","- C58 H54 Cl2 F24 O16 Sn8 -","- C58 H54 Cl2 F24 O16 Sn8 -","1","0.5","","Sun, Junshan","The crystal structure of the cocrystal di-μ2-chlorido-octamethyl-di-μ3-oxido-bis(2,3,4,5-tetrafluorobenzoato-κ2 O,O′)tetratin(IV) ─ octamethyl-di-μ3-oxido-bis(μ2-2,3,4,5-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-2,3,4,5-tetrafluorobenzoato-κ2 O:O;O′)tetratin(IV) C58H54Cl2F24O16Sn8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1231","1233","10.1515/ncrs-2021-0288","","","0.71073","MoKα","","0.1019","0.0578","","","0.1418","0.166","","","","","","1.013","","","","has coordinates","273057","2022-02-21","10:05:09",""
"8104574","19.762","0.003","24.69","0.004","12.106","0.002","90","","113.696","0.002","90","","5408.8","1.5","296","2","296.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","3-iodo-N-(2-methanesulfonyl- 1,1-dmethylethyl)-N'-(2-methyl-4-(1,2,2,2-tetrafluoro-1- trifluoromethylethyl)phenyl)phthalamide","","- C184 H176 F56 I8 N16 O32 S8 -","- C184 H176 F56 I8 N16 O32 S8 -","- C184 H176 F56 I8 N16 O32 S8 -","1","0.25","","Luo, Juan; Wang, Jie; Qiu, Gao-Yan; Xiong, Wan-Ming; Peng, Da-Yong","Crystal structure of 3-iodo-N 2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N 1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide, C23H22F7I1N2O4S1","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1235","1238","10.1515/ncrs-2021-0289","","","0.71073","MoKα","","0.0582","0.0488","","","0.1313","0.1411","","","","","","1.043","","","","has coordinates,has disorder","273058","2022-02-21","10:09:23",""
"8104575","11.7627","0.0007","11.8731","0.0009","11.924","0.0007","76.952","0.003","85.718","0.006","60.534","0.003","1411.16","0.17","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Br Cl2 N O2 S -","- C31 H26 Br Cl2 N O2 S -","- C62 H52 Br2 Cl4 N2 O4 S2 -","2","1","","Zhu, Lei; Wang, Jiao; Zhao, Jingzhe; Miao, Shaobin","Crystal structure of 1-(2-(4-bromophenyl)-2,3-dihydro-1H-benzo[e]indol-1-yl)-naphthalen-2-ol – dichloromethane – dimethyl sulfoxide (1/1/1), C28H18BrNO·CH2Cl2·C2H6SO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1239","1241","10.1515/ncrs-2021-0290","","","0.71073","MoKα","","0.0524","0.0497","","","0.134","0.1365","","","","","","1.044","","","","has coordinates","273059","2022-02-21","10:12:33",""
"8104576","8.657","0.002","15.233","0.004","11.956","0.003","90","","102.737","0.002","90","","1537.9","0.7","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Cl2 N4 Ni O10 S2 -","- C20 H48 Cl2 N4 Ni O10 S2 -","- C40 H96 Cl4 N8 Ni2 O20 S4 -","2","0.5","","Rabi, Saswata; Dey, Lucky; Palit, Debashis; Dey, Benu Kumar; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh","Crystal structure of [meso-5,7,7,12,14,14,-hexamethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) diperchlorate – dimethylsulphoxide (1/2), C20H48Cl2N4NiO10S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1243","1245","10.1515/ncrs-2021-0291","","","0.71075","MoKα","","0.0251","0.0237","","","0.0648","0.0655","","","","","","1.061","","","","has coordinates","273060","2022-02-21","10:17:03",""
"8104577","16.658","0.002","10.398","0.003","17.284","0.002","90","","116.928","0.003","90","","2669.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N6 Pd S4 -","- C26 H18 N6 Pd S4 -","- C104 H72 N24 Pd4 S16 -","4","0.5","","Liu, Xue-Guo; Pan, Hui-Yan","Crystal structure of 1,1′-(1,3-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S) palladium(II), C26H18N6PdS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1247","1249","10.1515/ncrs-2021-0292","","","0.71073","MoKα","","0.0372","0.033","","","0.0892","0.0912","","","","","","1.026","","","","has coordinates","273061","2022-02-21","10:22:04",""
"8104578","11.2454","0.0006","13.596","0.0007","14.0076","0.0008","79.019","0.005","71.729","0.005","76.126","0.005","1958.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cu N2 O4 -","- C24 H16 Cu N2 O4 -","- C96 H64 Cu4 N8 O16 -","4","2","","Wang Li-Hua; Liang Lei; Li Xiang-Tao; Cao Shu-Hua; Tai Xi-Shi","The crystal structure of bis(6-phenylpyridine-2-carboxylato-k2 N,O)copper(II), C24H16N2O4Cu","Zeitschrift fur Kristallographie - New Crystal Structures","2021","236","","1251","1253","10.1515/ncrs-2021-0293","","x-ray","0.71073","MoKα","","0.0582","0.0438","","","0.0933","0.103","","","","","","1.053","","","","has coordinates","273062","2022-02-21","10:37:39",""
"8104579","10.8019","0.0001","14.6976","0.0001","13.6266","0.0001","90","","90.983","0.001","90","","2163.07","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 As2 Cl4 O2 Sn -","- C48 H38 As2 Cl4 O2 Sn -","- C96 H76 As4 Cl8 O4 Sn2 -","2","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-chlorophenyl-κC)-bis(triphenylarsine oxide-κO)tin(IV), C48H38As2Cl4O2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1255","1257","10.1515/ncrs-2021-0294","","","1.54184","CuKα","","0.0206","0.0199","","","0.0509","0.0514","","","","","","1.047","","","","has coordinates","273063","2022-02-21","10:40:59",""
"8104580","10.9817","0.0006","23.833","0.0015","9.7379","0.0007","90","","94.705","0.005","90","","2540.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2.2.2-cryptand)-potassium cyclopentadienide","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^N~2~,O~6~) potassium cyclopentadienide","","- C23 H41 K N2 O6 -","- C23 H41 K N2 O6 -","- C92 H164 K4 N8 O24 -","4","1","","Fischer, Christina; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ 8 N 2, O 6) potassium cyclopentadienide, [K([2.2.2]crypt)]Cp, C23H41KN2O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1259","1261","10.1515/ncrs-2021-0296","","","0.71073","MoKα","","0.0583","0.0327","","","0.0642","0.0682","","","","","","0.866","","","","has coordinates","273064","2022-02-21","10:43:41",""
"8104581","10.0269","0.0007","14.1702","0.001","20.075","0.0014","90","","100.298","0.001","90","","2806.4","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Hydroxypyridine-3-carboxylic acid manganese(II)","","- C27 H28 Mn N4 O9 -","- C27 H28 Mn N4 O9 -","- C108 H112 Mn4 N16 O36 -","4","1","","Men, Xiaoxia; Zhang, Zhongyu; Li, Xiaoli; Sun, Weiqin","The crystal structure of bis(2-oxidopyridin-1-ium-3-carboxylato-κ2 O,O′)-(phenantroline-κ2 N,N′)manganese(II) - methanol (1/3), C27H28N4O9Mn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1263","1265","10.1515/ncrs-2021-0297","","","0.71073","MoKα","","0.0752","0.0403","","","0.0847","0.0985","","","","","","0.999","","","","has coordinates","273065","2022-02-21","10:46:07",""
"8104582","10.9372","0.0001","23.1045","0.0001","11.1856","0.0001","90","","106.942","0.001","90","","2703.91","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br2 Cl3 N2 Sn -","- C25 H23 Br2 Cl3 N2 Sn -","- C100 H92 Br8 Cl12 N8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-(dimethylamino)pyridinium dibromido-tris(4-chlorophenyl-κC)stannate(IV), C25H23Br2Cl3N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1267","1269","10.1515/ncrs-2021-0298","","","1.54184","CuKα","","0.0172","0.0167","","","0.039","0.0393","","","","","","1.066","","","","has coordinates","273086","2022-02-22","09:30:00",""
"8104583","8.7887","0.0004","11.2517","0.0006","13.7609","0.0007","74.962","0.004","81.084","0.004","71.259","0.004","1240.68","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H20 Cl2 F2 N2 O3 S -","- C27 H20 Cl2 F2 N2 O3 S -","- C54 H40 Cl4 F4 N4 O6 S2 -","2","1","","Gao, Zhong-Fei; Wang, Lei; Hou, Gui-Ge; Wang, Chun-Hua","Crystal structure of (3E,5E)-1-(4-cyanobenzenesulfonyl)-3,5-bis(3-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C27H20Cl2F2N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1271","1274","10.1515/ncrs-2021-0299","","","0.71073","MoKα","","0.0762","0.0582","","","0.1383","0.1543","","","","","","1.026","","","","has coordinates,has disorder","273087","2022-02-22","09:32:44",""
"8104584","7.8831","0.0004","11.9591","0.0007","13.3258","0.0007","69.072","0.005","88.556","0.004","73.73","0.005","1122.48","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 F5 N O3 S -","- C26 H18 F5 N O3 S -","- C52 H36 F10 N2 O6 S2 -","2","1","","Gao, Zhong-Fei; Wang, Lei; Hou, Gui-Ge; Zhang, Xiao-Fan","Crystal structure of (3E,5E)-3,5-bis(4-fluorobenzylidene)-1-((4-trifluoromethyl)benzenesulfonyl)piperidin-4-one, C26H18F5NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1275","1278","10.1515/ncrs-2021-0300","","","0.71073","MoKα","","0.0674","0.0507","","","0.1097","0.1216","","","","","","1.041","","","","has coordinates","273088","2022-02-22","09:36:13",""
"8104585","12.114","0.007","12.254","0.008","13.186","0.008","71.659","0.01","84.744","0.01","89.725","0.01","1850","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl N2 O Pt -","- C19 H17 Cl N2 O Pt -","- C76 H68 Cl4 N8 O4 Pt4 -","4","2","","Khan, Arshad; Usman, Rabia; Refat, Moamen S.; Alosaimi, Abeer M.; Alghamdi, Mohammed T.; Rahman, Faiz-Ur","Crystal structure of chlorido-(4-methyl-2-((phenylimino)methyl)phenolato-κ2 N,O)-(pyridine-κ1 N)platinum(II), C19H17ClN2OPt","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1279","1281","10.1515/ncrs-2021-0301","","","0.71073","MoKα","","0.0775","0.0511","","","0.1446","0.1644","","","","","","1.028","","","","has coordinates","273089","2022-02-22","09:38:40",""
"8104586","11.6061","0.0002","19.7791","0.0004","11.1982","0.0003","90","","116.278","0.003","90","","2304.98","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl O2 P -","- C26 H28 Cl O2 P -","- C104 H112 Cl4 O8 P4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (4-methylbenzyl)(triphenyl)phosphonium chloride dihydrate, C26H28ClO2P","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1283","1285","10.1515/ncrs-2021-0305","","","1.54184","CuKα","","0.0417","0.0373","","","0.1001","0.1034","","","","","","1.042","","","","has coordinates","273090","2022-02-22","09:41:49",""
"8104587","9.0071","0.0018","9.4931","0.0019","13.642","0.003","90","","90","","90","","1166.5","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Ag Cl N2 -","- C12 H12 Ag Cl N2 -","- C48 H48 Ag4 Cl4 N8 -","4","1","","Fang, Jianghua; Hu, Minjie; Li, Ying; Xu, Weihong","The crystal structure of poly[μ2-chlorido-(μ2-1,2-bis(4-pyridyl)ethane-κ 2 N:N′silver(I)], C12H12AgClN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1287","1289","10.1515/ncrs-2021-0307","","","0.71073","MoKα","","0.0163","0.016","","","0.0369","0.037","","","","","","1.1","","","","has coordinates","273091","2022-02-22","09:44:43",""
"8104588","11.1387","0.0015","10.3933","0.0014","12.2891","0.0017","90","","105.319","0.002","90","","1372.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cd N4 O6 -","- C11 H15 Cd N4 O6 -","- C44 H60 Cd4 N16 O24 -","4","1","","Long, Yuhong; Hu, Xiaoyu; Ran, Jingwen","Crystal structure of poly[(μ 4-benzene-1,2,4,5-tetracarboxylato)-bis(μ 2-adipohydrazide)dicadmium], C11H15N4O6Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1291","1293","10.1515/ncrs-2021-0309","","","0.71073","MoKα","","0.0467","0.0286","","","0.0436","0.0477","","","","","","1.027","","","","has coordinates","273092","2022-02-22","09:47:54",""
"8104589","19.9676","0.0019","8.4674","0.0007","12.4082","0.001","90","","90","","90","","2097.9","0.3","173","2","173","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","<i>N</i>'-(butan-2-ylidene)pyridine-4-carbohydrazide hydrate","","- C20 H28 N6 O3 -","- C20 H28 N6 O3 -","- C80 H112 N24 O12 -","4","0.5","","Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.","The crystal structure of (E)-N′-(butan-2-ylidene)isonicotinohydrazide 0.5 hydrate C10H13N3O·0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1295","1296","10.1515/ncrs-2021-0311","","x-ray","0.71073","MoKα","","0.0307","0.0299","","","0.0839","0.0849","","","","","","1.073","","","","has coordinates","273093","2022-02-22","09:52:39",""
"8104590","29.3891","0.0018","10.326","0.0005","19.9101","0.0011","90","","106.837","0.006","90","","5783.1","0.6","199.99","0.1","199.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O5 Zn -","- C34 H26 N4 O5 Zn -","- C272 H208 N32 O40 Zn8 -","8","1","","Wang, Li-Hua; Wang, Zi-Jian; Ouyang, Jian; Tai, Xi-Shi","The crystal structure of bis(6-phenylpyridine-2-carboxylate-κ2 N,O)-(2,2′-bipyridine-κ2 N,N′)zinc(II) monohydrate, C34H26N4O5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1297","1299","10.1515/ncrs-2021-0312","","x-ray","0.71073","MoKα","","0.0434","0.0334","","","0.0715","0.0759","","","","","","1.07","","","","has coordinates","273094","2022-02-22","09:55:33",""
"8104591","10.3707","0.0002","12.0232","0.0002","15.7744","0.0003","90","","90.907","0.001","90","","1966.65","0.06","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>R</i>^*^,2<i>S</i>^*^)-1,2-bis(2-fluorophenyl)- 3,8-dimethoxyacenaphthene-1,2-diol","","- C26 H20 F2 O4 -","- C26 H20 F2 O4 -","- C104 H80 F8 O16 -","4","1","","Iitsuka, Hiroaki; Li, Kun; Kobayashi, Miyuki; Iida, Kikuko; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","The crystal structure of (1R *,2S *)-1,2-bis(2-fluorophenyl)-3,8-dimethoxyacenaphthene-1,2-diol, C26H20F2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1301","1304","10.1515/ncrs-2021-0314","","x-ray","1.54187","CuKα","","0.0385","0.0371","","","0.1001","0.1013","","","","","","1.055","","","","has coordinates,has disorder","273095","2022-02-22","10:00:14",""
"8104592","9.0684","0.0006","21.549","0.001","9.1728","0.0007","90","","118.101","0.01","90","","1581.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Ag N6 O3 -","- C13 H15 Ag N6 O3 -","- C52 H60 Ag4 N24 O12 -","4","1","","Chen, Yan","Crystal structure of catena-poly[(μ2-1-((2-ethyl-4-methyl-1H-imidazol-1-yl)methyl)-1H-benzotriazole-κ2N:N′)-(nitrato-κ2O,O′)silver (I)], C13H15Ag1N6O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1305","1307","10.1515/ncrs-2021-0316","","x-ray","0.71073","MoKα","","0.0708","0.0425","","","0.0727","0.0877","","","","","","1.041","","","","has coordinates","273096","2022-02-22","10:03:10",""
"8104593","10.638","0.0005","10.6639","0.0005","26.5443","0.0015","90","","90","","90","","3011.3","0.3","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Co N4 O5 -","- C36 H26 Co N4 O5 -","- C144 H104 Co4 N16 O20 -","4","1","","Tai, Xi-Shi; Wang, Zi-Jian; Ouyang, Jian; Li, Yun-Fei; Zhang, Wei; Jia, Wen-Lei; Wang, Li-Hua","The crystal structure of [(phenantroline-κ2 N,N′)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)cobalt(II)]monohydrate, C36H26N4O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1309","1311","10.1515/ncrs-2021-0319","","x-ray","0.71073","MoKα","","0.0387","0.033","","","0.0652","0.0681","","","","","","1.044","","","","has coordinates","273097","2022-02-22","10:05:40",""
"8104594","14.603","0.002","24.059","0.004","10.138","0.0016","90","","93.141","0.003","90","","3556.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-2-[1-(4-chlorophenyl)ethylidene] hydrazine-1-carbohydrazonamide","","- C17 H17 Cl2 N5 -","- C17 H17 Cl2 N5 -","- C136 H136 Cl16 N40 -","8","2","","Atioğlu, Zeliha","Crystal structure of (1E)- N′-[(1E)-1-(4-chlorophenyl)ethylidene]-2-[1-(4-chlorophenyl)ethylidene]hydrazine-1-carbohydrazonamide, C 17 H 17 Cl 2 N 5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1313","1316","10.1515/ncrs-2021-0322","","","0.71073","MoKα","","0.1068","0.0512","","","0.1162","0.1416","","","","","","1.008","","","","has coordinates,has disorder","273098","2022-02-22","10:08:51",""
"8104595","9.072","0.003","5.882","0.002","21.258","0.007","90","","100.351","0.004","90","","1115.9","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-((tert-butylimino)methyl)-4-chlorophenol","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C44 H56 Cl4 N4 O4 -","4","1","","Yuan, Lin; Li, Yuan-Da; Fan, Xu; Li, Zhong-Yan","The crystal structure of (E)-2-((tert-butylimino)methyl)-4-chlorophenol, C11H14ClNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1317","1318","10.1515/ncrs-2021-0323","","","0.71073","MoKα","","0.0447","0.0391","","","0.1096","0.1167","","","","","","1.029","","","","has coordinates","273099","2022-02-22","10:11:29",""
"8104596","8.399","0.0014","8.399","0.0014","9.6208","0.0017","90","","90","","120","","587.76","0.17","300.15","","300.15","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","all-<i>cis</i> -2,4,6-trihydroxycyclohexane-1,3,5-triaminium chloride sulfate","","- C6 H18 Cl N3 O7 S -","- C6 H18 Cl N3 O7 S -","- C12 H36 Cl2 N6 O14 S2 -","2","0.333333","","Velcheva, Vyara; Hegetschweiler, Kaspar; Gencheva, Galina","Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1319","1321","10.1515/ncrs-2021-0324","","","0.71073","MoKα","","0.0595","0.0497","","","0.1336","0.1404","","","","","","1.127","","","","has coordinates","273100","2022-02-22","10:13:48",""
"8104597","8.3295","0.0001","10.5647","0.0001","12.0078","0.0001","90","","96.612","0.001","90","","1049.64","0.018","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl2 O2 S2 Sn -","- C18 H26 Cl2 O2 S2 Sn -","- C36 H52 Cl4 O4 S4 Sn2 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(dimethyl sulfoxide-κO)bis(4-methylphenyl-κC 1)tin(IV), C18H26Cl2O2S2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1323","1325","10.1515/ncrs-2021-0325","","","1.54184","CuKα","","0.0178","0.0174","","","0.0451","0.0455","","","","","","1.111","","","","has coordinates","273101","2022-02-22","10:17:06",""
"8104598","10.0393","0.0001","14.449","0.0002","14.1502","0.0002","90","","92.846","0.001","90","","2050.07","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 N2 Sn -","- C22 H16 Cl4 N2 Sn -","- C88 H64 Cl16 N8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-chlorophenyl-κC 1)(2,2′-bipyridyl-κ 2 N,N′)tin(IV), C22H16Cl4N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1327","1329","10.1515/ncrs-2021-0326","","","1.54184","CuKα","","0.0234","0.0224","","","0.0584","0.059","","","","","","1.024","","","","has coordinates","273102","2022-02-22","10:20:13",""
"8104599","14.48","0.02","3.956","0.006","13.765","0.019","90","","99.266","0.015","90","","778.2","1.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-5-bromo-2-hydroxybenzaldehyde oxime","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","","Yuan, Lin; Zhu, Hong-Yu; Kuang, Jin-Hao; Li, Zhong-Yan","Redetermination of the crystal structure of (E)-5-bromo-2-hydroxybenzaldehyde oxime, C 7 H 6 BrNO 2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1331","1332","10.1515/ncrs-2021-0327","","","0.71073","MoKα","","0.0265","0.0236","","","0.057","0.0584","","","","","","1.034","","","","has coordinates","273103","2022-02-22","10:24:46",""
"8104600","14.187","0.015","10.585","0.011","11.952","0.013","90","","113.851","0.016","90","","1642","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(diaminomethylidene)-2-[(4-methylphenyl)methylidene]hydrazin-1-ium 4-methylbenzoic acid","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C68 H80 N16 O8 -","4","1","","Atioğlu, Zeliha; Kekeçmuhammed, Hüseyin","The crystal structure of (E)-amino(2-(4-methylbenzylidene)hydrazineyl)methaniminium 4-methylbenzoate, C9H13N4 + C8H7O2 −","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1333","1335","10.1515/ncrs-2021-0330","","","0.71073","MoKα","","0.0728","0.0479","","","0.1226","0.1408","","","","","","1.026","","","","has coordinates","273104","2022-02-22","10:31:48",""
"8104601","7.4339","0.0012","8.2564","0.0014","12.184","0.002","108.804","0.006","93.672","0.005","94.373","0.006","702.7","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C30 H32 Cl2 N2 O4 -","2","1","","Deng, Zu-Shuai; Luo, Peng; Pan, Wei-Gao","Crystal structure of 2-chloro-3-(isopentylamino)naphthalene-1,4-dione, C 15 H 16 ClNO 2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1337","1339","10.1515/ncrs-2021-0333","","","0.71073","MoKα","","0.1033","0.065","","","0.1719","0.1974","","","","","","1.02","","","","has coordinates","273105","2022-02-22","10:35:24",""
"8104602","12.467","0.003","39.168","0.008","7.6005","0.0016","90","","90","","90","","3711.4","1.4","296.15","","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H42 O17 -","- C38 H42 O17 -","- C152 H168 O68 -","4","1","","Liu, Juan; Chen, Sai; Li, Honglei","The crystal structure of bis(2-acetyl-5-methoxyphenyl)carbonate 1.5 hydrate, C19H18O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1341","1343","10.1515/ncrs-2021-0336","","","0.71073","MoKα","","0.0626","0.044","","","0.0965","0.1054","","","","","","1.021","","","","has coordinates","273106","2022-02-22","10:38:19",""
"8104603","7.5223","0.0006","8.0977","0.0008","11.7739","0.0011","76.41","0.008","75.495","0.008","75.902","0.008","661.76","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O4 Zn -","- C16 H13 N O4 Zn -","- C32 H26 N2 O8 Zn2 -","2","1","","Chen, Hai-Lin; Yao, Dong-Mei; Wang, Yan-Ping; Lao, Ya-Xin","The crystal structure of poly[(μ 4-4,4′-(azanediylbis(methylene))dibenzoato-κ 4 O:N:O′:Oʺ)zinc(II)], C16H13NO4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1345","1346","10.1515/ncrs-2021-0337","","","0.71073","MoKα","","0.0745","0.0532","","","0.0938","0.1041","","","","","","1.073","","","","has coordinates","273107","2022-02-22","10:41:17",""
"8104604","8.9812","0.0005","6.5212","0.0003","10.6167","0.0006","90","","100.12","0.006","90","","612.13","0.06","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H8 Mn Mo N2 O4 -","- C12 H8 Mn Mo N2 O4 -","- C24 H16 Mn2 Mo2 N4 O8 -","2","0.5","","Ze-Hai, Qiu; Zhu-Sen, Zhang; Wu-Hua, Chen","The crystal structure of catena-poly[(1,10-phenanthroline-k2 N,N′)-(μ3-tetraoxidomoybdato(VI)-k3 O:O′:O″)manganese(II)] C12H8N2O4MoMn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1347","1349","10.1515/ncrs-2021-0338","","x-ray","0.71073","MoKα","","0.0454","0.0391","","","0.0747","0.0783","","","","","","1.062","","","","has coordinates","273108","2022-02-22","10:50:21",""
"8104605","8.5356","0.0004","27.9494","0.0015","10.3796","0.0006","90","","92.386","0.004","90","","2474.1","0.2","289.1","0.2","289.1","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Ag N4 O8 S -","- C23 H23 Ag N4 O8 S -","- C92 H92 Ag4 N16 O32 S4 -","4","1","","Li, Zhao-Hao; Xie, Gui-Xian; Li, Chen-Yang; Dou, Xiao-Ru","Crystal structure of catena-poly[(4-hydroxyl-5-(methoylcarbonyl)thiophene-2-carboxylato-κ1 O)-(μ2-piperazine-1,4-diylbis(pyridin-4-ylmethanone)-κ2 N:N′)silver(I)] monohydrate, C23H23AgN4O8S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1351","1353","10.1515/ncrs-2021-0339","","x-ray","0.71073","MoKα","","0.0438","0.0347","","","0.0708","0.0744","","","","","","1.076","","","","has coordinates","273109","2022-02-22","10:53:20",""
"8104606","12.6011","0.001","16.5997","0.0008","12.9206","0.0012","90","","119.006","0.011","90","","2363.7","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{(E) [3-bromopropyl)imino]}-5-bromo phenol-oxovanadium(IV)","","- C20 H20 Br4 N2 O3 V -","- C20 H20 Br4 N2 O3 V -","- C80 H80 Br16 N8 O12 V4 -","4","1","","Wei, Wei; Xia, Juan; Zhang, Wei-Ya; Zhang, Heng-Qiang; Fang, Fu-Jian; Xin, Yang; Zheng, Xiu-Jun","Crystal structure of bis(4-bromo-2-(((3-bromopropyl)imino)methyl)phenolato-κ2N,O)-oxido-vanadium(IV), C20H20Br4N2O3V","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1355","1357","10.1515/ncrs-2021-0340","","","0.71073","MoKα","","0.0914","0.0518","","","0.093","0.1062","","","","","","1.04","","","","has coordinates,has disorder","273154","2022-02-25","08:14:44",""
"8104607","6.4154","0.0001","7.8782","0.0002","17.1555","0.0004","90","","91.021","0.002","90","","866.93","0.03","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C38 H44 O14 -","2","1","","Xu, Xin-Ke; Li, Can-Jie; Tan, Jin-Lin; Zhao, Hai-Yue; Lin, Qiang; Li, Yao-Lan; Zhang, Yu-Bo; Wang, Guo-Cai","The crystal structure of (2a′S,2a1′S,3R,5a′S,7′R)-5-(furan-3-yl)-2a′,2a1′-dihydroxy-7′-methyldecahydro-2H-spiro[furan-3,6′-naphtho[1,8-bc]furan]-2,2′(2a′H)-dione, C19H22O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1359","1361","10.1515/ncrs-2021-0342","","x-ray","1.54184","CuKα","","0.0328","0.0326","","","0.102","0.1028","","","","","","0.926","","","","has coordinates","273155","2022-02-25","08:35:45",""
"8104608","14.3975","0.0012","7.5773","0.0007","12.25","0.001","90","","90","","90","","1336.4","0.2","150","2","149.99","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C48 H32 Br8 N8 O16 -","8","2","","Huang, Guang","The crystal structure of 3-bromopicolinic acid, C6H4BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1363","1365","10.1515/ncrs-2021-0343","","","0.71073","MoKα","","0.0387","0.0281","","","0.0505","0.0536","","","","","","1.044","","","","has coordinates","273156","2022-02-25","08:39:32",""
"8104609","8.2661","0.0005","9.1519","0.0006","9.4673","0.0006","70.473","0.001","80.77","0.001","83.34","0.001","664.77","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N6 Pt S4 -","- C26 H18 N6 Pt S4 -","- C26 H18 N6 Pt S4 -","1","0.5","","Yan, Wei-Hong; Zeng, Xian-Cai","Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S) platinum(II), C26H18N6PtS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1367","1369","10.1515/ncrs-2021-0345","","","0.71073","MoKα","","0.0496","0.0477","","","0.1155","0.1168","","","","","","0.8995","","","","has coordinates","273157","2022-02-25","08:43:37",""
"8104610","8.347","0.0002","9.6701","0.0002","12.9523","0.0003","102.413","0.002","103.199","0.002","97.753","0.002","975.26","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O10 S -","- C20 H19 N O10 S -","- C40 H38 N2 O20 S2 -","2","1","","Chen, Hai-Lin; Huang, Xiu-Xiang; Yao, Dong-Mei; Wang, Yan-Ping; Lu, Xiao-Bing","Synthesis and crystal structure of 5-(8-((3-carboxyazetidin-1-ium-1-yl)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzenesulfonate monohydrate, C20H19NO10S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1371","1373","10.1515/ncrs-2021-0346","","x-ray","1.54184","CuKα","","0.0486","0.0439","","","0.1216","0.1244","","","","","","1.119","","","","has coordinates,has disorder","273219","2022-03-03","09:41:54",""
"8104611","7.3026","0.0004","7.4618","0.0004","7.8746","0.0004","81.542","0.003","89.459","0.003","61.718","0.003","372.86","0.04","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C12 H14 Br2 N4 O4 -","2","1","","Du, Chao-Jun; Niu, De-Long; Yan, Zhen-Li; Zheng, Shi-Li; Zeng, Yan","The crystal structure of 3-amino-5-carboxypyridin-1-ium bromide, C6H7BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1375","1376","10.1515/ncrs-2021-0352","","","0.71073","MoKα","","0.0256","0.0209","","","0.0459","0.0473","","","","","","1.033","","","","has coordinates","273220","2022-03-03","09:45:13",""
"8104612","4.9681","0.0004","32.634","0.004","6.2373","0.001","90","","96.244","0.01","90","","1005.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10.5 N2 O2.5 -","- C11 H10.5 N2 O2.5 -","- C44 H42 N8 O10 -","4","1","","Wang, Li-Hua; Tai, Xi-Shi","The crystal structure of (2-hydroxy-5-methyl-phenyl)-(1H-pyrazol-4-yl)-methanone hemihydrate, C11H10.5N2O2.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1377","1378","10.1515/ncrs-2021-0353","","","0.71073","MoKα","","0.1161","0.0595","","","0.0879","0.1112","","","","","","1.051","","","","has coordinates","273221","2022-03-03","09:50:34",""
"8104613","13.3069","0.0009","9.9041","0.0006","8.158","0.0005","90","","106.374","0.007","90","","1031.56","0.12","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cd O12 -","- C18 H22 Cd O12 -","- C36 H44 Cd2 O24 -","2","0.5","","Tai, Xi-Shi; Wang, Li-Hua","Crystal structure of tetraaqua-(2-(4-formylphenoxy)acetato-k1 O)cadmium(II), C18H22O12Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1379","1380","10.1515/ncrs-2021-0356","","x-ray","0.71073","MoKα","","0.0262","0.0216","","","0.0492","0.0522","","","","","","1.045","","","","has coordinates","273222","2022-03-03","09:53:08",""
"8104614","6.983","0.005","8.472","0.006","12.113","0.007","88.009","0.011","73.45","0.03","81.793","0.009","679.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cl0 N2 O4 -","- C32 H38 N2 O4 -","- C32 H38 N2 O4 -","1","0.5","","Yang, Shuai; Dong, Jin-Ling; Chen, Jin-Ming","Crystal structure of diethyl 6,12-dimethyl-3,9-di-p-tolyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5-dicarboxylate, C32H38N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1381","1382","10.1515/ncrs-2021-0358","","","0.71073","MoKα","","0.0676","0.0566","","","0.1737","0.1875","","","","","","1.083","","","","has coordinates","273223","2022-03-03","09:55:11",""
"8104615","7.4495","0.0006","16.5328","0.0013","12.8519","0.001","90","","91.329","0.001","90","","1582.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl F N2 O2.5 -","- C17 H16 Cl F N2 O2.5 -","- C68 H64 Cl4 F4 N8 O10 -","4","1","","Bao, Xiaobo; Tian, Chongchong","Crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl)ethylidene)-4-hydroxy – tetrahydrofuran (2/1), C17H16ClFN2O2.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1383","1384","10.1515/ncrs-2021-0357","","","0.71073","MoKα","","0.0644","0.0508","","","0.1371","0.1461","","","","","","1.09","","","","has coordinates,has disorder","273224","2022-03-03","09:59:05",""
"8104616","12.5772","0.0002","17.3473","0.0003","18.8445","0.0003","90","","90","","90","","4111.5","0.12","289.32","0.1","289.32","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Cu I N3 O7 -","- C19 H16 Cu I N3 O7 -","- C152 H128 Cu8 I8 N24 O56 -","8","1","","Lv, Benlian","Crystal structure of [aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 O,N,O′)-(1,10-phenanothroline-κ2 N,N′)copper(II)] dihydrate, C19H16O7N3CuI","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","891","893","10.1515/ncrs-2021-0119","","x-ray","0.71073","MoKα","","0.0341","0.031","","","0.0759","0.0775","","","","","","1.08","","","","has coordinates","273225","2022-03-03","10:02:30",""
"8104617","10.3214","0.0011","21.81","0.002","10.9371","0.0011","90","","108.083","0.003","90","","2340.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Mo8 N8 O26 -","- C24 H44 Mo8 N8 O26 -","- C48 H88 Mo16 N16 O52 -","2","0.5","","Yang, Bingchuan; Lv, Xueyan; Liu, Rutao","The crystal structure of tetrakis(1-isopropyl-1H-imidazolium) octamolybdate, C24H44Mo8N8O26","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","895","897","10.1515/ncrs-2021-0128","","","0.71073","MoKα","","0.0593","0.0423","","","0.0844","0.0893","","","","","","1.116","","","","has coordinates","273226","2022-03-03","10:05:24",""
"8104618","17.9344","0.0003","18.2722","0.0003","9.5619","0.0002","90","","90","","90","","3133.44","0.1","293.28","0.1","293.28","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H25 Cd N11 O8 -","- C30 H25 Cd N11 O8 -","- C120 H100 Cd4 N44 O32 -","4","0.5","","Yin, Wei-Dong; Liu, Qian-Long; Zhao, Ya-Jing; Gong, Xiao-Ru; Li, Gui-Lian","Crystal structure of catena-poly[bis(µ2-3,5-bis(1-imidazolyl)pyridine-κ2 N:N′)-(µ2-3-nitrophthalato-k3 O,O′:O″)cadmium(II)] dihydrate, C30H25N11O8Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","899","902","10.1515/ncrs-2021-0133","","x-ray","0.71073","MoKα","","0.0416","0.0345","","","0.0683","0.0707","","","","","","1.107","","","","has coordinates,has disorder","273227","2022-03-03","10:08:58",""
"8104619","5.1342","0.001","9.6478","0.0018","27.192","0.005","90","","95.42","","90","","1340.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid","","- C15 H13 F2 N O4 -","- C15 H13 F2 N O4 -","- C60 H52 F8 N4 O16 -","4","1","","Yong-Hua, Zhang; Wen, Meng-Yao; Yan, Ke","The crystal structure of diaqua-bis(2-(3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl)pyridine-κ2 N:N′)-bis(3,5-dicarboxybenzoato-κ1 O)cobalt(II), C38H30CoN12O14","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","903","905","10.1515/ncrs-2021-0136","","","0.71073","MoKα","","0.0524","0.0434","","","0.113","0.1197","","","","","","1.038","","","","has coordinates","273228","2022-03-03","10:14:10",""
"8104620","11.2329","0.0005","11.7535","0.0005","12.1109","0.0007","70.936","0.005","75.684","0.004","63.266","0.004","1340.14","0.13","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N6 Ni O9 -","- C26 H26 N6 Ni O9 -","- C52 H52 N12 Ni2 O18 -","2","1","","Yu-Fang, Wang; Zhang, Shu-Qi","Crystal structure of the nickel(II) complex aqua-(2,6-di(pyrazin-2-yl)-4,4′-bipyridine-κ3 N,N′,N′′)-(phthalato-κ2 O,O′)nickel(II) tetrahydrate, C26H26N6O9Ni","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","907","909","10.1515/ncrs-2021-0141","","x-ray","0.71073","MoKα","","0.0363","0.0314","","","0.0721","0.0743","","","","","","1.05","","","","has coordinates","273229","2022-03-03","10:17:14",""
"8104621","7.8502","0.0004","7.9892","0.0004","34.9707","0.0019","90","","92.5","0.001","90","","2191.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F N3 O6 S -","- C21 H20 F N3 O6 S -","- C84 H80 F4 N12 O24 S4 -","4","1","","Gong, Yi-Xia; Geng, Yi-Ding; Zhou, Shu-Jing; Wang, Gui-Yan","The crystal structure of 1-[5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanaminium 3-carboxyprop-2-enoate, C21H20FN3O6S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","911","913","10.1515/ncrs-2021-0146","","","0.71073","MoKα","","0.0624","0.0502","","","0.1279","0.1361","","","","","","1.043","","","","has coordinates,has disorder","273322","2022-03-04","09:20:41",""
"8104622","11.041","0.002","7.8592","0.0016","24.131","0.005","90","","95.26","0.03","90","","2085.1","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","0.5","","Cheng, Jie; Chen, Jue","The crystal structure of 1,2-bis(4-pyridyl)ethane - 4,4-dihydroxydiphenylmethane (1/1), C25H21N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","915","917","10.1515/ncrs-2021-0148","","","0.71073","MoKα","","0.086","0.0486","","","0.1196","0.1402","","","","","","1.002","","","","has coordinates","273323","2022-03-04","09:23:33",""
"8104623","10.3071","0.0003","13.4696","0.0004","16.1893","0.0004","81.467","0.002","77.726","0.002","82.055","0.002","2158.64","0.11","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cl4 F6 N10 O12 -","- C34 H36 Cl4 F6 N10 O12 -","- C68 H72 Cl8 F12 N20 O24 -","2","1","","Jin, Ze-Sen; Liu, Xiao-jing; Liu, E.; Liang, Tongling; Jian, Fangfang","Crystal structure of bis(2-((E)-5-chloro-2-hydroxybenzylidene)hydrazineyl)methaniminium trifluoroacetate dihydrate, C34H36Cl4N10O12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","919","922","10.1515/ncrs-2021-0150","","x-ray","1.54184","CuKα","","0.0612","0.0539","","","0.1544","0.1609","","","","","","1.045","","","","has coordinates,has disorder","273324","2022-03-04","09:27:50",""
"8104624","5.1342","0.001","9.6478","0.0018","27.192","0.005","90","","95.42","","90","","1340.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid","","- C15 H13 F2 N O4 -","- C15 H13 F2 N O4 -","- C60 H52 F8 N4 O16 -","4","1","","Zhang, Chun-Yan; Nie, Xu-Liang; Huang, Guo-Ping; Xiong, Yuan-Zhen; Huang, Jian-Ping","Crystal structure of 1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C15H13F2NO4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","923","925","10.1515/ncrs-2021-0151","","","0.71073","MoKα","","0.0524","0.0434","","","0.113","0.1197","","","","","","1.038","","","","has coordinates","273325","2022-03-04","09:31:30",""
"8104625","13.61","0.02","7.389","0.011","16.34","0.02","90","","113.91","0.02","90","","1502","4","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C72 H60 B4 N8 O8 -","4","1","","Ma, Qiang; Miao, Zong-Cheng","Crystal structure of methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","927","928","10.1515/ncrs-2021-0152","","","0.71073","MoKα","","0.0939","0.0544","","","0.1407","0.1651","","","","","","1.023","","","","has coordinates","273326","2022-03-04","09:34:16",""
"8104626","7.0242","0.0011","25.375","0.004","7.6789","0.0013","90","","111.275","0.002","90","","1275.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cl N2 O3 -","- C14 H11 Cl N2 O3 -","- C56 H44 Cl4 N8 O12 -","4","1","","Liu, Jianlian; Hao, Hong; Du, Chaojun","Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-2-hydroxybenzohydrazide, C14H11ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","929","930","10.1515/ncrs-2021-0154","","","0.71073","MoKα","","0.0433","0.0349","","","0.1072","0.1123","","","","","","1.01","","","","has coordinates","273327","2022-03-04","09:37:16",""
"8104627","5.304","0.0011","9.2288","0.0018","10.1286","0.002","90","","100.173","0.003","90","","488","0.17","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","fluorophlogopite","","- Al1.4 F2 K Mg2.8 O10 Si2.8 -","- Al1.398 F2 K Mg2.802 O10 Si2.8 -","- Al2.796 F4 K2 Mg5.604 O20 Si5.6 -","2","0.25","","Aiqing, Chen; Lixue, Zhang","Crystal structure of Al-rich fluorophlogopite, K1.0(Mg2.8Al0.2)(Si2.8Al1.2)O10F2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","931","933","10.1515/ncrs-2021-0157","","","0.71073","MoKα","","0.0423","0.0387","","","0.1067","0.1086","","","","","","1.186","","","","has coordinates,has disorder","273328","2022-03-04","09:56:04",""
"8104628","10.2268","0.001","10.885","0.0009","12.1413","0.001","101.81","0.002","90.465","0.003","103.194","0.003","1285.9","0.2","199.95","","199.95","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 F6 I2 N3 Sb -","- C20 H22 F6 I2 N3 Sb -","- C40 H44 F12 I4 N6 Sb2 -","2","1","","Xu, Xingyu; Qiu, Ping","The crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium hexafluoridoantimonate(V), C20H22F6I2N3Sb","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","935","936","10.1515/ncrs-2021-0158","","","0.71073","MoKα","","0.034","0.0291","","","0.0695","0.0717","","","","","","1.094","","","","has coordinates","273329","2022-03-04","09:59:09",""
"8104629","28.2633","0.0007","12.4964","0.0003","9.1542","0.0003","90","","99.584","0.001","90","","3188.04","0.15","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cl9 I3 N3 Sb2 -","- C15 H15 Cl9 I3 N3 Sb2 -","- C60 H60 Cl36 I12 N12 Sb8 -","4","0.5","","Ma, Yuxin; Hao, Munan; Sun, Ruijin; Jin, Shifeng; Zhao, Changchun","Crystal structure of tris(3-iodopyridin-1-ium) catena-poly[(hexachlorido-κ1 Cl)-(μ2-trichlorido-κ2 Cl:Cl)diantimony(III)], C15H15Cl9I3N3Sb2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","937","939","10.1515/ncrs-2021-0156","","","0.71073","MoKα","","0.0313","0.0274","","","0.0665","0.0687","","","","","","1.055","","","","has coordinates,has disorder","273330","2022-03-04","10:02:09",""
"8104630","23.976","0.003","7.769","0.0009","32.94","0.004","90","","95.17","0.01","90","","6110.8","1.3","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C288 H240 B16 N32 O32 -","16","2","","Song, Wenqi; Miao, Zongcheng","Crystal structure of methyl 2-(1H-naphtho[1,8-de][1.3.2]diazaborinin-2(3H-yl)benzoate C18H15BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","941","943","10.1515/ncrs-2021-0159","","","1.34139","GaKα","","0.0769","0.0525","","","0.1285","0.1415","","","","","","1.07","","","","has coordinates","273331","2022-03-04","10:08:00",""
"8104631","27.0291","0.0004","14.5593","0.0002","7.95172","0.0001","90","","90","","90","","3129.2","0.07","193","2","193","2","","","","","","","","3","P n a 21","P 2c -2n","33","1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl","","","- C40 H28 O8 -","- C40 H28 O8 -","- C160 H112 O32 -","4","1","","Kobayashi, Miyuki; Iida, Kikuko; Iitsuka, Hiroaki; Li, Kun; Yonezawa, Noriyuki; Okamoto, Akiko","The crystal structure of 1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl dibenzoate, C40H28O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","945","947","10.1515/ncrs-2021-0160","","","1.54187","CuKα","","0.0289","0.0276","","","0.068","0.069","","","","","","1.047","","","","has coordinates","273332","2022-03-04","10:10:34",""
"8104632","11.9697","0.0003","10.0493","0.0003","27.8468","0.0007","90","","90","","90","","3349.61","0.16","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 B2 Br F4 N4 -","- C14 H15 B2 Br F4 N4 -","- C112 H120 B16 Br8 F32 N32 -","8","1","","He, Weifeng; Liu, Yingfan; Sun, Saisai; Ji, Guangqian; Li, Xiaochuan","Crystal structure of 2-bromo-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C14H15B2BrF4N4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","949","952","10.1515/ncrs-2021-0163","","","0.71073","MoKα","","0.1073","0.0697","","","0.1453","0.1585","","","","","","1.097","","","","has coordinates,has disorder","273333","2022-03-04","10:15:12",""
"8104633","17.515","0.011","17.515","0.011","15.459","0.013","90","","90","","90","","4742","6","113.15","","113.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H9 Cl F N3 -","- C12 H9 Cl F N3 -","- C192 H144 Cl16 F16 N48 -","16","1","","Wu, Hui-Zhen; Min, Li-Jing; Han, Liang; Liu, Xing-Hai; Sun, Na-Bo","The crystal structure of (E)-3-chloro-2-(2-(2-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","953","955","10.1515/ncrs-2021-0164","","","0.71073","MoKα","","0.0589","0.053","","","0.1126","0.1161","","","","","","1.177","","","","has coordinates","273334","2022-03-04","10:17:28",""
"8104634","10.6637","0.0002","18.8249","0.0006","14.8626","0.0005","90","","93.853","0.003","90","","2976.82","0.15","291","0.4","291","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Cu4 I4 N10 O22 -","- C46 H46 Cu4 I4 N10 O22 -","- C92 H92 Cu8 I8 N20 O44 -","2","0.5","","Lv, Benlian","Crystal structure of bis(µ2- 4-iodopyridine-2,6-dicarboxylato-κ3 O:N:O′)-bis(4-iodopyridine-2,6-dicarboxylato-κ3 O:N:O′)-bis(µ2-1-(4-pyridyl)piperazine-κ2 N:N′)-hexa-aqua-tetra-copper(II), C46H46Cu4I4N10O22","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","957","959","10.1515/ncrs-2021-0166","","x-ray","0.71073","MoKα","","0.0469","0.0361","","","0.0686","0.0726","","","","","","1.055","","","","has coordinates","273335","2022-03-04","10:19:53",""
"8104635","11.8592","0.0004","8.3925","0.0003","13.9503","0.0005","90","","102.81","0.003","90","","1353.89","0.08","291.19","0.1","291.19","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cd N4 O12 -","- C24 H28 Cd N4 O12 -","- C48 H56 Cd2 N8 O24 -","2","0.5","","Lv, Benlian; Ren, Yunli","Crystal structure of poly[diaqua-(μ 2-2,5-dihydroxyterephthalato-κ2 O:O′)(μ 2-bis(4-pyridylformyl)piperazine-κ2 N:N′)cadmium(II)] dihydrate, C24H28CdN4O12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","961","963","10.1515/ncrs-2021-0167","","x-ray","0.71073","MoKα","","0.0309","0.0273","","","0.0613","0.0633","","","","","","1.046","","","","has coordinates","273336","2022-03-04","10:22:18",""
"8104636","9.6671","0.0007","20.0783","0.0013","10.4225","0.0007","90","","107.365","0.001","90","","1930.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cd F4 N4 O5 -","- C17 H14 Cd F4 N4 O5 -","- C68 H56 Cd4 F16 N16 O20 -","4","1","","Guo, Yu-Mei; Tang, Bo; Ge, Hong-Guang; Huang, Pei; Lu, Jiu-Fu","Crystal structure of poly[aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ3-2,3,5,6-tetrafluoroterephthalato-κ3 O:O′:O′′)cadmium(II)], C17H14N4O5F4Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","965","967","10.1515/ncrs-2021-0168","","","0.71073","MoKα","","0.0295","0.025","","","0.0852","0.088","","","","","","1.005","","","","has coordinates","273337","2022-03-04","10:24:46",""
"8104637","12.3329","0.0002","12.9276","0.0002","12.1125","0.0001","90","","114.047","0.002","90","","1763.55","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C104 H64 N8 O4 -","4","1","","Li, Chuan-Jun","Crystal structure of 6-(quinolin-8-yl)benzo[a]phenanthridin-5(6H)-one, C26H16N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","969","970","10.1515/ncrs-2021-0170","","x-ray","1.54184","CuKα","","0.0462","0.0416","","","0.1095","0.1137","","","","","","1.037","","","","has coordinates","273338","2022-03-04","10:27:26",""
"8104638","6.8","0.002","9.086","0.003","11.363","0.004","86.701","0.006","84.83","0.005","77.353","0.005","681.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-chloropyridine-2-carboxylic acid Copper (II)","","- C12 H8 Cl2 Cu N2 O5 -","- C12 H8 Cl2 Cu N2 O5 -","- C24 H16 Cl4 Cu2 N4 O10 -","2","1","","Zhang, Zhongyu; Tong, Mingqiong; Liu, Yanling","The crystal structure of aqua-bis(6-chloropicolinato-κ2 N,O)copper(II), C12H8Cl2N2O5Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","971","972","10.1515/ncrs-2021-0171","","","0.71073","MoKα","","0.0292","0.025","","","0.0632","0.0655","","","","","","1.063","","","","has coordinates","273339","2022-03-04","10:29:24",""
"8104639","8.5437","0.0016","17.852","0.004","9.3335","0.0013","90","","101.38","0.016","90","","1395.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H29 Ag2 N5 O9 S -","- C25 H29 Ag2 N5 O9 S -","- C50 H58 Ag4 N10 O18 S2 -","2","0.5","","Zhao, Han-Lin; Jiang, Jin-Ke; Jiang, Hui; Dong, Xian-Wu; Li, Xue","Crystal structure of catena-poly[diaqua-bis(μ2-4,4′-bipyridyl-κ2 N:N′) disilver(I)] 4-oxidopyridine-3-sulfonate trihydrate, C25H29Ag2N5O9S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","973","974","10.1515/ncrs-2021-0175","","","0.71073","MoKα","","0.0318","0.0271","","","0.0631","0.0653","","","","","","1.127","","","","has coordinates","273340","2022-03-04","10:32:05",""
"8104640","7.214","0.003","12.735","0.006","21.305","0.009","90","","90","","90","","1957.3","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Br N3 -","- C10 H8 Br N3 -","- C80 H64 Br8 N24 -","8","1","","Khan, Arshad; Usman, Rabia; Khan, Amjad; Refat, Moamen S.; Alosaimi, Abeer M.; Bakare, Safyah B.; Alghamdi, Mohammed T.","The crystal structure of 4-(3-bromophenyl)pyrimidin-2-amine, C10H8BrN3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","975","976","10.1515/ncrs-2021-0176","","","0.71073","MoKα","","0.0637","0.0353","","","0.0754","0.0808","","","","","","0.882","","","","has coordinates","273341","2022-03-04","10:34:35",""
"8104641","7.651","0.0015","11.465","0.002","14.526","0.003","90","","90","","90","","1274.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Shi, Bei-Chen; Chen, Hao-Dong; Zhu, Xian-Dui; Zhang, Meng-Meng; Zhang, Zhi-Fei","Crystal structure of 6-oxo-4-phenyl-1-propyl-1,6-dihydropyridine-3-carbonitrile, C15H14N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","977","978","10.1515/ncrs-2021-0178","","","0.71073","MoKα","","0.0589","0.0422","","","0.1078","0.1199","","","","","","1.006","","","","has coordinates","273342","2022-03-04","10:38:13",""
"8104642","11.8292","0.001","11.0987","0.0008","11.648","0.001","90","","115.282","0.011","90","","1382.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F5 N O2 -","- C14 H12 F5 N O2 -","- C56 H48 F20 N4 O8 -","4","1","","Liu, Jianlian; Du, Chaojun; Hao, Hong","Crystal structure of 4-(2,2-difluoroethyl)-2,4-dimethyl-6-(trifluoromethyl)isoquinoline-1,3(2H,4H)-dione, C14H12F5NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","979","980","10.1515/ncrs-2021-0179","","","0.71073","MoKα","","0.1104","0.0913","","","0.1541","0.1609","","","","","","1.027","","","","has coordinates","273470","2022-03-07","07:38:44",""
"8104643","15.534","0.007","7.956","0.004","14.589","0.007","90","","119.094","0.008","90","","1575.5","1.3","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Dibromo-(1-methylimidazole)-(2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)\\ propionato-O)-zinc(II), C~11~H~16~Br~2~N~4~O~2~Zn","","- C11 H16 Br2 N4 O2 Zn -","- C11 H16 Br2 N4 O2 Zn -","- C44 H64 Br8 N16 O8 Zn4 -","4","1","","Liu, Pengju; Wang, Zongwei; Guo, Libing; Tang, Junming","Crystal structure of dibromido-(1-methyl-1H-imidazole-κ1 N)-(3-(3-methyl-1H-imidazol-3-ium-1-yl)propanoato-κ1 O)zinc(II), C11H16Br2N4O2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","981","983","10.1515/ncrs-2021-0180","","","0.71073","MoKα","","0.0365","0.0296","","","0.0669","0.0703","","","","","","1.03","","","","has coordinates","273471","2022-03-07","07:41:30",""
"8104644","27.4022","0.0015","14.0345","0.0007","17.0047","0.001","90","","116.009","0.003","90","","5877.3","0.6","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H30 Cl N3 O6 Ti -","- C33.5 H30 Cl N3 O6 Ti -","- C268 H240 Cl8 N24 O48 Ti8 -","8","1","","Zhao, Tiankun; Wang, Peng; Ji, Mingyu; Li, Shanjia; Yang, Mingjun; Pu, Xiuying","The crystal structure of 1,1′-(((2 (dimethylamino)ethyl)azanediyl)bis(methylene)) bis(naphthalen-2-olato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)- titanium(IV) ─ dichloromethane (2/1), C33H29N3O6Ti","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","985","987","10.1515/ncrs-2021-0182","","","1.34138","GaKα","","0.0457","0.0369","","","0.1041","0.1125","","","","","","1.083","","","","has coordinates,has disorder","273472","2022-03-07","07:44:18",""
"8104645","8.181","0.0002","12.6195","0.0003","11.3811","0.0002","90","","90.258","0.002","90","","1174.97","0.05","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(theophyllinium) hexachloridostannate(IV)","","","- C14 H18 Cl6 N8 O4 Sn -","- C14 H18 Cl6 N8 O4 Sn -","- C28 H36 Cl12 N16 O8 Sn2 -","2","0.5","","Reiss, Guido J.; Wyshusek, Maik","The layered crystal structure of bis(theophyllinium) hexachloridostannate (IV), C14H18N8O8SnCl6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","989","992","10.1515/ncrs-2021-0185","","","0.71073","MoKα","","0.0451","0.0266","","","0.0507","0.062","","","","","","1.002","","","","has coordinates","273473","2022-03-07","07:47:06",""
"8104646","6.0324","0.0005","7.1692","0.0006","21.6655","0.0017","90","","97.022","0.003","90","","929.95","0.13","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N2 O3 S -","- C8 H12 N2 O3 S -","- C32 H48 N8 O12 S4 -","4","1","","Zhu, Yanfang; Xu, Guiyang; Song, Wenqi; Miao, Zongcheng","The crystal structre of 3-(1-ethenyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate, C8H12N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","993","994","10.1515/ncrs-2021-0186","","","1.34139","GaKα","","0.0437","0.0409","","","0.1171","0.1201","","","","","","1.06","","","","has coordinates","273474","2022-03-07","07:51:04",""
"8104647","9.9846","0.0006","31.4308","0.0013","11.5739","0.0006","90","","110.712","0.007","90","","3397.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N2 O9 -","- C39 H38 N2 O9 -","- C156 H152 N8 O36 -","4","1","","Li, Wu-Wu; Liu, Xiong-Li; Li, Xiao-Peng; Zheng, Hao-Nan; Weng, A-Tong; Feng, Ling-Ying; Liu, Lu","Synthesis and crystal structure of di-tert-butyl 1″-acetyl-2,2″,9′-trioxo-4a′,9a′-dihydro-1′H,3′H,9′H-dispiro[indoline-3,2′-xanthene-4′,3″-indoline]-1,3′-dicarboxylate, C39H38N2O9","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","995","997","10.1515/ncrs-2021-0187","","","0.71073","MoKα","","0.0911","0.0596","","","0.107","0.1221","","","","","","1.046","","","","has coordinates","273475","2022-03-07","07:54:32",""
"8104648","13.6888","0.0004","8.3775","0.0002","12.918","0.0003","90","","110.515","0.003","90","","1387.46","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 Cl N2 O2 -","- C17 H9 Cl N2 O2 -","- C68 H36 Cl4 N8 O8 -","4","1","","Yang, Fan; Yao, Lin; Zeng, Xu-Li","The crystal structure of 4-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","999","1000","10.1515/ncrs-2021-0188","","x-ray","1.54184","CuKα","","0.0458","0.042","","","0.1168","0.1224","","","","","","1.049","","","","has coordinates","273476","2022-03-07","08:08:21",""
"8104649","6.249","0.0003","7.6343","0.0004","24.2376","0.0009","90","","90.914","0.004","90","","1156.15","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F -","- C15 H11 F -","- C60 H44 F4 -","4","1","","Liu, Jin-Bao","The crystal structure of 1-fluoro-4-(p-tolylethynyl)benzene, C15H11F","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1001","1002","10.1515/ncrs-2021-0190","","x-ray","1.54184","CuKα","","0.0749","0.0619","","","0.1654","0.1829","","","","","","1.063","","","","has coordinates","273477","2022-03-07","08:11:34",""
"8104650","11.5165","0.0011","5.4369","0.0005","14.4872","0.0014","90","","105.639","0.002","90","","873.52","0.14","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br2 Cu N4 O2 -","- C18 H12 Br2 Cu N4 O2 -","- C36 H24 Br4 Cu2 N8 O4 -","2","0.5","","Jaćimović, Željko K.; Tomić, Zoran D.; Giester, Gerald; Libowitzky, Eugen; Ajanović, Atifa; Kosović, Milica","The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2 N,O] copper(II), C18H12Br2CuN4O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1003","1005","10.1515/ncrs-2021-0191","","","0.71073","MoKα","","0.033","0.0232","","","0.0528","0.0559","","","","","","1.053","","","","has coordinates","273478","2022-03-07","08:14:34",""
"8104651","8.9067","0.0001","8.6975","0.0001","10.2398","0.0001","90","","103.754","0.001","90","","770.491","0.015","100","2","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[(μ~3~imidazolato-κ^3^N:N:N')(tetrahydrofuran-κ^1^O)lithium(Ι)]","","- C7 H11 Li N2 O -","- C7 H11 Li N2 O -","- C28 H44 Li4 N8 O4 -","4","1","","Zapf, Ludwig; Finze, Maik","The crystal structure of poly[(μ 3-imidazolato-κ 3 N:N:N′)(tetrahydrofuran- κ 1 O)lithium(I)], C7H11LiN2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1007","1009","10.1515/ncrs-2021-0192","","x-ray","1.54184","CuKα","","0.0357","0.0338","","","0.0908","0.0925","","","","","","1.071","","","","has coordinates","273479","2022-03-07","08:17:42",""
"8104652","7.507","0.002","8.0276","0.0018","23.653","0.006","93.062","0.008","97.015","0.009","99.478","0.008","1391.5","0.6","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N8 O7 -","- C25 H34 N8 O7 -","- C50 H68 N16 O14 -","2","1","","Zhou, Yi; Zhang, Min; Xiong, Ying","Crystal structure of N′,N′′′-((1E,1′E)-(propane-2,2-diylbis(1H-pyrrole-5,2diyl))bis(methaneylylidene))di(nicotinohydrazide) pentahydrate, C25H24N8O2·5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1011","1013","10.1515/ncrs-2021-0193","","","0.71073","MoKα","","0.0587","0.0473","","","0.1366","0.1477","","","","","","1.028","","","","has coordinates,has disorder","273480","2022-03-07","08:22:08",""
"8104653","8.3781","0.0015","13.97","0.003","12.904","0.002","90","","104.5","0.002","90","","1462.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V)","","- C9 H15 F6 N2 O2 P -","- C9 H15 F6 N2 O2 P -","- C36 H60 F24 N8 O8 P4 -","4","1","","Yuan, Kun; Xiong, Wan-Ming; Nie, Xu-Liang; Peng, Da-Yong; Chen, Jing","Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V), C9H15F6N2O2P","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1015","1017","10.1515/ncrs-2021-0194","","","0.71073","MoKα","","0.0863","0.0677","","","0.1713","0.1977","","","","","","0.988","","","","has coordinates,has disorder","273481","2022-03-07","08:25:15",""
"8104654","20.171","0.007","9.684","0.003","10.372","0.004","90","","90","","90","","2026","1.2","273","2","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H14 Cu N2 O4 S2 -","- C22 H14 Cu N2 O4 S2 -","- C88 H56 Cu4 N8 O16 S8 -","4","0.5","","Zhang, Zhongyu; Men, Xiaoxia; Han, Bing; Sun, Chunyan","Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(3-thiophenecarboxylato-κ2 O,O′)copper(II), C22H14N2O4S2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1019","1020","10.1515/ncrs-2021-0199","","","0.71073","MoKα","","0.0388","0.0334","","","0.0875","0.0908","","","","","","1.072","","","","has coordinates,has disorder","273482","2022-03-07","08:37:06",""
"8104655","9.83","0.0004","5.3338","0.0002","17.404","0.0008","90","","105.493","0.002","90","","879.36","0.06","150","2","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C12 H16 I2 N4 O5 -","- C12 H16 I2 N4 O5 -","- C24 H32 I4 N8 O10 -","2","0.5","","Huang, Guang","The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C6H8IN2O2.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1021","1022","10.1515/ncrs-2021-0204","","","0.71073","MoKα","","0.0168","0.0139","","","0.0298","0.0306","","","","","","1.103","","","","has coordinates","273483","2022-03-07","08:40:42",""
"8104656","4.0929","0.0004","12.9527","0.0011","14.4228","0.0012","70.171","0.008","87.229","0.008","87.567","0.008","718.16","0.12","99.9","0.3","99.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Wang, Lei; Meng, Qing-Guo; Hou, Gui-Ge","Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-2-yl)methylene)-tetralone, C18H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1023","1025","10.1515/ncrs-2021-0207","","","0.71073","MoKα","","0.0673","0.0549","","","0.1381","0.1526","","","","","","1.041","","","","has coordinates","273484","2022-03-07","08:44:38",""
"8104657","9.4069","0.0006","11.7695","0.0008","15.0549","0.0011","82.7","0.002","76.682","0.002","77.364","0.002","1577.52","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Br0.5 N2 O3.75 Re -","- C15 H13 Br0.5 N2 O3.75 Re -","- C60 H52 Br2 N8 O15 Re4 -","4","2","","Moherane, Lehlohonolo; Alexander, Orbett T.; Visser, Hendrik G.; Manicum, Amanda-Lee E.","The crystal structure of [μ-hydroxido-bis[(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)-tricarbonylrhenium(I)] bromide hemihydrate, C30H26N4O9Re2Br","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1027","1029","10.1515/ncrs-2021-0210","","","0.71073","MoKα","","0.0329","0.0291","","","0.083","0.0868","","","","","","1.039","","","","has coordinates","273485","2022-03-07","08:47:54",""
"8104658","7.9214","0.0001","6.0808","0.0001","17.8091","0.0003","90","","90.592","0.002","90","","857.79","0.02","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N S -","- C10 H9 N S -","- C40 H36 N4 S4 -","4","1","","Zhai, Zhi-Wei; Yang, Shuang-Hua","The crystal structure of 2,5-bis(3,5-dimethylphenyl)thiazolo[5,4-d]thiazole, C20H18N2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1031","1033","10.1515/ncrs-2021-0213","","x-ray","1.54184","CuKα","","0.0392","0.0382","","","0.1044","0.1051","","","","","","1.06","","","","has coordinates","273486","2022-03-07","08:50:51",""
"8104659","6.0024","0.0005","19.474","0.002","8.3531","0.0008","90","","91.75","0.009","90","","975.94","0.16","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 F N3 O2 -","- C24 H16 F N3 O2 -","- C48 H32 F2 N6 O4 -","2","1","","Atioğlu, Zeliha; Karataş, Halis; Kökbudak, Zülbiye","The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1035","1037","10.1515/ncrs-2021-0216","","x-ray","0.71073","MoKα","","0.0631","0.0409","","","0.0733","0.0832","","","","","","1.01","","","","has coordinates","273487","2022-03-07","08:53:18",""
"8104660","13.505","0.005","14.226","0.005","13.405","0.005","90","","91.28","","90","","2574.8","1.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 N2 O3 P Rh -","- C25 H38 N2 O3 P Rh -","- C100 H152 N8 O12 P4 Rh4 -","4","1","","Alexander, Orbett T.; Venter, Johan","Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ 2 O,O′)(tricyclohexylphosphine-κP)rhodium(I), C25H39N2O3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1039","1041","10.1515/ncrs-2021-0218","","","0.71073","MoKα","","0.0494","0.0399","","","0.0922","0.1026","","","","","","1.032","","","","has coordinates","273488","2022-03-07","09:11:22",""
"8104661","9.5965","0.0003","9.5965","0.0003","11.8821","0.0008","90","","90","","120","","947.65","0.08","223.15","","223.15","","","","","","","","","6","P -3","-P 3","147","","","","- C36 H36 F6 N12 Ni Si -","- C36 H36 F6 N12 Ni Si -","- C36 H36 F6 N12 Ni Si -","1","0.166667","","Xu, Xi-Ting; Dong, Tong-Min; Song, Wei; Zhong, Kai-Long","Crystal structure of poly[bis[μ 3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ 3 N:N′:N″]nickel(II)] hexafluorosilicate, C36H36N12NiSiF6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1043","1045","10.1515/ncrs-2021-0195","","","0.71073","MoKα","","0.0454","0.0437","","","0.1068","0.1076","","","","","","1.259","","","","has coordinates","273489","2022-03-07","09:17:50",""
"8104662","16.06","0.0002","5.3992","0.0001","19.8514","0.0002","90","","94.26","0.001","90","","1716.58","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N5 O -","- C19 H25 N5 O -","- C76 H100 N20 O4 -","4","2","","Li, Jun-Jie; Dong, Fang-Yun; Zou, Qi-Wen; Feng, Yin; Yang, Yu-Tao; Su, Kai-Xuan; Huang, Yong-Fu; Jiang, Xu-Hong; Cheng, Xing-An","The crystal structure of 13-(pyrazole-1-yl-4-carbonitrile)-matrine, C19H25N5O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1047","1049","10.1515/ncrs-2021-0197","","x-ray","1.54184","CuKα","","0.0393","0.035","","","0.0888","0.0908","","","","","","1.078","","","","has coordinates","273490","2022-03-07","09:22:04",""
"8104663","16.0076","0.001","7.7424","0.0004","17.3259","0.0011","90","","96.161","0.005","90","","2134.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F6 N O3 -","- C24 H21 F6 N O3 -","- C96 H84 F24 N4 O12 -","4","1","","Zhou, Xia; Sun, Zhong-Hao; Shan, Guang-Zhi; Meng, Qing-Guo","Crystal structure of 3,5-bis((E)-4-methoxy-2-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1051","1053","10.1515/ncrs-2021-0200","","","0.71073","MoKα","","0.0686","0.0563","","","0.1407","0.1517","","","","","","1.055","","","","has coordinates","273491","2022-03-07","09:26:31",""
"8104664","7.9495","0.0007","11.2494","0.0012","13.7829","0.0013","81.433","0.002","76.536","0.001","82.641","0.002","1179.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O2 S2 -","- C26 H22 N4 O2 S2 -","- C52 H44 N8 O4 S4 -","2","1","","Xin, Nana; Zheng, Jun; He, Qingpeng","The crystal structure of N,N′-(Disulfanediyldi-2,1-phenylene)di(6′-methylpyridine)-2-carboxamide, C26H22N4O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1055","1057","10.1515/ncrs-2021-0206","","","0.71073","MoKα","","0.1145","0.0727","","","0.196","0.2189","","","","","","0.983","","","","has coordinates","273492","2022-03-07","09:32:02",""
"8104665","11.8614","0.001","7.9148","0.0006","16.7999","0.0016","90","","99.15","0.009","90","","1557.1","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F4 O2 -","- C19 H14 F4 O2 -","- C76 H56 F16 O8 -","4","1","","Meng, Qing-Guo; Zhao, Sheng-Nan; Sun, Zhong-Hao; Shan, Guang-Zhi; Meng, Qing-Guo","Crystal structure of (E)-7-fluoro-2-(4-methoxy-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1059","1061","10.1515/ncrs-2021-0209","","","0.71073","MoKα","","0.0549","0.0446","","","0.1056","0.115","","","","","","1.032","","","","has coordinates","273493","2022-03-07","09:35:18",""
"8104666","10.805","0.007","20.984","0.013","7.034","0.004","90","","93.386","0.013","90","","1592","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F N O2 -","- C19 H16 F N O2 -","- C76 H64 F4 N4 O8 -","4","1","","Song, Hong-Yu; Liu, Shan; Zhang, Bo-Nan; Zhong, Qi-Di; Qi, Ya-Juan","Crystal structure of ethyl 1-(4-fluorophenyl)-4-phenyl-1H-pyrrole-3-carboxylate, C19H16FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1063","1064","10.1515/ncrs-2021-0219","","","0.71073","MoKα","","0.1612","0.0561","","","0.1001","0.1336","","","","","","0.956","","","","has coordinates","273494","2022-03-07","09:39:03",""
"8104667","11.201","0.002","12.699","0.003","12.8","0.004","100.3","0.09","103.18","0.09","106.77","0.06","1637.9","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl2 Co N6 O5 -","- C28 H44 Cl2 Co N6 O5 -","- C56 H88 Cl4 Co2 N12 O10 -","2","1","","Alexander, Orbett T.; Alberto, Roger; Roodt, Andreas","The crystal structure of cis-diaqua-bis (N-butyl-N-(pyridin-2-yl)pyridin-2-amine-κ 2 N,N′)cobalt(II)] dichloride trihydrate, C28H44Cl2N6O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1065","1068","10.1515/ncrs-2021-0221","","","0.71076","MoKα","","0.0479","0.0372","","","0.0846","0.089","","","","","","1.038","","","","has coordinates","273495","2022-03-07","09:42:29",""
"8104668","14.702","0.003","7.0421","0.0011","15.303","0.003","90","","113.32","0.02","90","","1454.9","0.5","100.03","0.18","100.03","0.18","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Wang, Lei; Meng, Qing-Guo; Jiang, Nan; Wei, Lin; Wang, Chun-Hua","Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C18H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1069","1071","10.1515/ncrs-2021-0222","","","0.71073","MoKα","","0.0651","0.0522","","","0.1183","0.1274","","","","","","1.08","","","","has coordinates","273496","2022-03-07","09:46:45",""
"8104669","8.0937","0.0008","7.1326","0.0006","22.367","0.002","90","","90.863","0.009","90","","1291.1","0.2","99.97","0.16","99.97","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C68 H56 F4 N4 O8 -","4","1","","Wang, Chen; Wang, Lei; Meng, Qing-Guo; Huang, Zhi-Xin; Ma, Nuan-Nuan; Wang, Chun-Hua","Crystal structure of (E)-2-((3-fluoropyridin-4-yl)methylene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1073","1075","10.1515/ncrs-2021-0223","","","0.71073","MoKα","","0.049","0.0404","","","0.0904","0.0974","","","","","","1.055","","","","has coordinates","273497","2022-03-07","10:01:04",""
"8104670","10.673","0.0014","5.2781","0.0006","14.7781","0.0018","90","","109.61","0.004","90","","784.21","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ω-bromohexdanoic acid","6-bromohexanoic acid","","- C6 H11 Br O2 -","- C6 H11 Br O2 -","- C24 H44 Br4 O8 -","4","1","","Ndima, Lubabalo; Hosten, Eric C.; Betz, Richard","The crystal structure of 6-bromohexanoic acid, C6H11BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1077","1078","10.1515/ncrs-2021-0224","","","0.71073","MoKα","","0.0318","0.0225","","","0.0535","0.0564","","","","","","1.052","","","","has coordinates","273498","2022-03-07","10:05:53",""
"8104671","5.7461","0.0002","9.7601","0.0004","5.7466","0.0003","90","","95.869","0.002","90","","320.59","0.02","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-chloro-thiophenol","4-chloro-thiophenol","","- C6 H5 Cl S -","- C6 H5 Cl S -","- C12 H10 Cl2 S2 -","2","0.5","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-chloro-thiophenol, C6H5ClS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1079","1081","10.1515/ncrs-2021-0225","","","0.71073","MoKα","","0.0231","0.0216","","","0.0529","0.0545","","","","","","1.218","","","","has coordinates,has disorder","273499","2022-03-07","10:08:28",""
"8104672","9.4506","0.0007","18.1015","0.001","4.4418","0.0003","90","","90","","90","","759.86","0.09","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-bromobenzyl chloride","4-bromobenzyl chloride","","- C7 H6 Br Cl -","- C7 H6 Br Cl -","- C28 H24 Br4 Cl4 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-bromobenzyl chloride, C7H6BrCl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1083","1085","10.1515/ncrs-2021-0227","","","0.71073","MoKα","","0.0356","0.0271","","","0.0537","0.0558","","","","","","1.063","","","","has coordinates","273500","2022-03-07","10:11:30",""
"8104673","11.3561","0.0007","11.4569","0.0007","10.9762","0.0006","90","","116.087","0.002","90","","1282.59","0.13","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","di-<i>tert</i>-butyl dicarbonate","di-<i>tert</i>-butyl dicarbonate","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","The crystal structure of di-tert-butyl dicarbonate, C10H18O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1087","1089","10.1515/ncrs-2021-0228","","","0.71073","MoKα","","0.0714","0.0547","","","0.1507","0.1677","","","","","","1.053","","","","has coordinates,has disorder","273501","2022-03-07","10:14:07",""
"8104674","5.788","0.002","11.079","0.004","18.916","0.007","90","","90","","90","","1213","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C48 H60 Cl4 O12 -","4","1","","Zou, Long-Sheng; Li, Zhong-Yan; Yuan, Lin","The crystal structure of (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1091","1092","10.1515/ncrs-2021-0230","","","0.71073","MoKα","","0.0693","0.0559","","","0.172","0.1898","","","","","","1.075","","","","has coordinates","273502","2022-03-07","10:16:28",""
"8104675","7.4038","0.0009","30.448","0.003","7.6744","0.0008","90","","112.013","0.003","90","","1603.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-hydroxybenzoic acid <i>N</i>'-(butan-2-ylidene)pyridine-4-carbohydrazide","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","","Setshedi, Itumeleng B.; Smith, Mark G.","The crystal structure of the co-crystal: 2-hydroxybenzoic acid – N′-(butan-2-ylidene)pyridine-4-carbohydrazide, C10H13N3O·C7H6O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1093","1095","10.1515/ncrs-2021-0232","","x-ray","0.71073","MoKα","","0.0549","0.0492","","","0.1344","0.1384","","","","","","1.098","","","","has coordinates","273503","2022-03-07","10:19:30",""
"8104676","15.5754","0.0012","7.4828","0.0006","23.0981","0.0018","90","","90.797","0.007","90","","2691.8","0.4","100","0.18","100","0.18","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C136 H112 F8 N8 O16 -","8","1","","Sun, Jia-Jia; Zhang, Xiao-Fan; Meng, Qing-Guo; Li, Hong-Juan; Wang, Chun-Hua","Crystal structure and anti-inflammatory activity of (E)-7-fluoro-2-((5-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1097","1099","10.1515/ncrs-2021-0234","","","0.71073","MoKα","","0.0536","0.0442","","","0.103","0.1096","","","","","","1.045","","","","has coordinates","273504","2022-03-07","10:22:37",""
"8104677","7.384","0.0006","10.9208","0.0008","16.7006","0.0015","90","","101.032","0.009","90","","1321.84","0.19","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C68 H56 F4 N4 O8 -","4","1","","Su, Xiang-Yi; Zhang, Xiao-Fan; Meng, Qing-Guo; Li, Hong-Juan","Crystal structure of (E)-7-fluoro-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1101","1103","10.1515/ncrs-2021-0236","","","0.71073","MoKα","","0.0758","0.0589","","","0.1382","0.1561","","","","","","1.062","","","","has coordinates","273505","2022-03-07","10:25:22",""
"8104678","8.6769","0.0013","9.8858","0.0014","14.51","0.002","81.71","0.002","89.406","0.002","89.446","0.002","1231.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,1'-(butane-1,4-diyl)bis(3-propyl-1H- imidazol-3-ium) bis(hexafluoridophosphate)","","- C32 H56 F24 N8 P4 -","- C32 H56 F24 N8 P4 -","- C32 H56 F24 N8 P4 -","1","0.5","","Zhou, Yao-Hong; Nie, Xu-Liang; Xiong, Wan-Ming; Peng, Da-Yong; Zhang, Xiao-Hua","Crystal structure of 1,1′-(butane-1,4-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C32H56F24N8P4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1105","1107","10.1515/ncrs-2021-0237","","","0.71073","MoKα","","0.1696","0.0692","","","0.1713","0.2245","","","","","","0.95","","","","has coordinates,has disorder","273521","2022-03-08","08:57:40",""
"8104679","8.261","0.003","16.39","0.005","13.967","0.004","90","","95.85","0.004","90","","1881.3","1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cd Cl2 N4 O4 -","- C14 H20 Cd Cl2 N4 O4 -","- C56 H80 Cd4 Cl8 N16 O16 -","4","1","","Yang, Fei; Wang, Zongwei; Liu, Pengju; Guo, Libing; Xian, Dong","The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2)-cadmium(II), C14H20CdCl2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1109","1111","10.1515/ncrs-2021-0238","","","0.71073","MoKα","","0.0396","0.0342","","","0.0844","0.0873","","","","","","1.062","","","","has coordinates","273522","2022-03-08","09:00:53",""
"8104680","17.885","0.003","15.647","0.002","16.189","0.002","90","","90","","90","","4530.4","1.1","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C56 H42 N8 O -","- C56 H42 N8 O -","- C224 H168 N32 O4 -","4","0.5","","Li, Yi-Da; Song, Zhi-Qiang; Yue, Zhi-Wei; Zhong, Qi-Di; Qi, Ya-Juan","Crystal structure of 1-(2-cyanobenzyl)-3-cyano-4-phenyl-4-(2-cyanobenzyl)-1,4-dihydropyridine monohydrate, C56H42N8O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1113","1114","10.1515/ncrs-2021-0241","","","0.71073","MoKα","","0.0925","0.0464","","","0.0999","0.1219","","","","","","0.999","","","","has coordinates","273523","2022-03-08","09:12:41",""
"8104681","4.6321","0.0003","7.5132","0.0004","24.7605","0.0014","90","","90","","90","","861.71","0.09","193","2","193.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","","Song, Wenqi; Yang, Miaoxiu; Qian, Liwei; Miao, Zongcheng","The crystal structure of 3-(carboxymethyl)-1-ethenyl-1H-imidazol-3-ium chloride, C7H9N2O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1115","1116","10.1515/ncrs-2021-0242","","","1.34139","GaKα","","0.0268","0.0257","","","0.0648","0.0653","","","","","","1.048","","","","has coordinates","273524","2022-03-08","09:17:15",""
"8104682","14.2882","0.0011","17.8169","0.001","7.6201","0.0006","90","","103.78","0.008","90","","1884","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adamantylmethoxydiphenylsilane","","- C23 H28 O Si -","- C23 H28 O Si -","- C92 H112 O4 Si4 -","4","1","","Bauer, Jonathan O.","The crystal structure of adamantylmethoxydiphenylsilane, C23H28OSi","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1117","1120","10.1515/ncrs-2021-0243","","","0.71073","MoKα","","0.0947","0.0538","","","0.1088","0.1241","","","","","","1.02","","","","has coordinates","273525","2022-03-08","09:21:09",""
"8104683","9.217","0.004","9.774","0.004","10.843","0.004","96.77","0.002","101.791","0.005","105.873","0.003","903.9","0.6","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","1","","Dey, Lucky; Rabi, Saswata; Begum, Zinnat A.; Takase, Tsugiko; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh","Redetermination of the crystal structure of (2E,4Z,13E,15Z)-3,5,14,16-tetramethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene, C22H24N4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1121","1124","10.1515/ncrs-2021-0244","","","0.71075","MoKα","","0.0476","0.0391","","","0.1031","0.1069","","","","","","1.069","","","","has coordinates","273526","2022-03-08","09:24:35",""
"8104684","7.5016","0.0004","13.675","0.0008","14.8557","0.0009","115.469","0.006","91.726","0.005","97.325","0.005","1358.48","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","2","","Liang, Lun-Hai; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H15NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1125","1127","10.1515/ncrs-2021-0245","","","0.71073","MoKα","","0.0571","0.0442","","","0.1003","0.1095","","","","","","1.036","","","","has coordinates","273527","2022-03-08","09:28:11",""
"8104685","9.2248","0.0005","13.314","0.0008","10.6132","0.0006","90","","109.348","0.007","90","","1229.89","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Co N10 O8 -","- C18 H28 Co N10 O8 -","- C36 H56 Co2 N20 O16 -","2","0.5","","Liu, Jie; Jiang, Peng; Yang, Xiao-Ming; Lu, Jiu-Fu","Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)cobalt(II)] dinitrate, C18H28N10O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1129","1130","10.1515/ncrs-2021-0246","","","0.71073","MoKα","","0.0424","0.0336","","","0.1009","0.1078","","","","","","1.049","","","","has coordinates","273528","2022-03-08","09:31:00",""
"8104686","13.9371","0.0013","14.3873","0.0014","9.1536","0.0008","90","","104.958","0.004","90","","1773.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 O13 Sr2 -","- C10 H22 O13 Sr2 -","- C40 H88 O52 Sr8 -","4","1","","Bouhali, Amira; Dridi, Rawiya; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Crystal structure of poly[(μ2-aqua-tetraaqua-(μ3-glutarato-κ4 O,O′:O′:O′′)-(μ5-glutarato-κ6 O:O,O′:O′:O′′:O′′′)distrontium(II)], C10H22O13Sr2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","705","707","10.1515/ncrs-2021-0050","","x-ray","0.71073","MoKα","","0.0322","0.0294","","","0.0768","0.0785","","","","","","1.024","","","","has coordinates","273529","2022-03-08","09:35:06",""
"8104687","8.809","0.0005","11.4984","0.0006","12.3941","0.0007","90.111","0.002","106.017","0.002","100.18","0.002","1185.95","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cu N2 O5 -","- C26 H26 Cu N2 O5 -","- C52 H52 Cu2 N4 O10 -","2","1","","Yang, Yuanyuan; Jin, Li; Zuo, Zhenyu; Yanhui, Chen; Fang, Chen","The crystal structure of acetato-κ1 O-{(2-(2-(2-aminophenoxy)ethoxy)phenyl)(4-oxo-4-phenylbut-2-en-2-yl)amido-κ2 N,N′,O}copper(II), C26H26CuN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","709","711","10.1515/ncrs-2021-0048","","","0.71073","MoKα","","0.036","0.0315","","","0.0842","0.0869","","","","","","1.053","","","","has coordinates","273530","2022-03-08","10:21:46",""
"8104688","7.797","0.0007","9.611","0.0009","12.7629","0.0012","71.544","0.008","79.322","0.008","83.734","0.008","890.2","0.15","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cu2 N12 O2 S2 -","- C34 H32 Cu2 N12 O2 S2 -","- C34 H32 Cu2 N12 O2 S2 -","1","0.5","","Fang, Xiang; Yang, Jing; Zhang, Ya-Wen; Lv, Xin-Ya; Wang, Xia; Song, Ning","Crystal structure of dimethanolato-k2 O:O-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)dicopper(II), C34H32Cu2N12O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","713","715","10.1515/ncrs-2021-0045","","","1.54184","CuKα","","0.0743","0.0634","","","0.173","0.1827","","","","","","1.027","","","","has coordinates","273531","2022-03-08","10:27:55",""
"8104689","8.7117","0.0005","8.7935","0.0005","15.0791","0.0009","90","","103.557","0.001","90","","1122.97","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Co N4 O8 -","- C22 H22 Co N4 O8 -","- C44 H44 Co2 N8 O16 -","2","0.5","","Wang, Jing; Luo, Jiahuan; Zhai, Shengxian; Yongsheng, Niu; Tian, Dayong; Zhang, Chuanxiang","Crystal structure of poly[diaqua-bis(μ2-3-(pyrimidin-5-yl)benzoato-κ2 N:O)cobalt(II)] dihydrate, [Co(C11H11O2N2)2(H2O)2]","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","717","718","10.1515/ncrs-2021-0044","","","0.71073","MoKα","","0.0329","0.0271","","","0.0689","0.0725","","","","","","1.035","","","","has coordinates","273532","2022-03-08","10:32:16",""
"8104690","8.828","0.003","9.458","0.003","10.786","0.003","74.609","0.004","73.915","0.004","64.888","0.004","772.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-<i>tert</i>-butyl-3-phenyl-1-trimethylsilyl-1-azaallyl-κ^2^<i>N</i>,\\ N')Zinc(II)","","- C30 H48 N2 Si2 Zn -","- C30 H48 N2 Si2 Zn -","- C30 H48 N2 Si2 Zn -","1","0.5","","Wang, Jun-Hong; Tong, Hong-Bo; Wang, Meng-Liang; Yuan, Hai-Yan","Crystal structure of bis(3,3-dimethyl-1-phenylbut-1-en-2-yl)(trimethylsilyl)amido-k1 N)zinc(II), Zn(C15H24NSi)2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","719","720","10.1515/ncrs-2021-0057","","","0.71073","MoKα","","0.0588","0.0476","","","0.1166","0.1225","","","","","","1.023","","","","has coordinates","273533","2022-03-08","10:37:49",""
"8104691","10.3523","0.0004","18.2609","0.0009","9.9688","0.0004","90","","103.918","0.004","90","","1829.2","0.14","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H66 Cu4 N24 O5 S4 -","- C68 H66 Cu4 N24 O5 S4 -","- C68 H66 Cu4 N24 O5 S4 -","1","0.25","","Zhang, Ya-Wen; Wang, Xin-Ling; Yang, Jing; Wang, Xia; Yuan, Xian-Xian; Lv, Xin-Ya","Crystal structure of catena-poly[(μ2-methanolato-κ2 O:O)-(μ2-1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)-(thiocyanato-κ1 N)copper(II)] 0.25 hydrate, C17H16CuN6OS ⋅ 0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","721","723","10.1515/ncrs-2021-0051","","","1.54184","CuKα","","0.0549","0.0409","","","0.102","0.1099","","","","","","1.054","","","","has coordinates,has disorder","273534","2022-03-08","10:44:42",""
"8104692","7.0704","0.0003","15.7781","0.0006","9.1495","0.0004","90","","112.114","0.001","90","","945.61","0.07","150","2","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 I N3 O3 -","- C6 H10 I N3 O3 -","- C24 H40 I4 N12 O12 -","4","1","","Du, Chao-Jun; Niu, De-Long; Zheng, Shi-Li; Zeng, Yan","The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C6H8IN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","725","726","10.1515/ncrs-2021-0058","","","0.71073","MoKα","","0.0211","0.0187","","","0.0509","0.0522","","","","","","1.182","","","","has coordinates","273553","2022-03-09","08:58:54",""
"8104693","6.8667","0.0004","7.5196","0.0004","10.0908","0.0005","74.237","0.002","81.603","0.003","88.888","0.003","495.95","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Cl N2 O7 -","- C6 H9 Cl N2 O7 -","- C12 H18 Cl2 N4 O14 -","2","1","","Hou, Siyu; Ren, Penggang; Zeng, Yan","The crystal structure of 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, C6H9ClN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","727","728","10.1515/ncrs-2021-0062","","","0.71073","MoKα","","0.0564","0.0377","","","0.0823","0.0902","","","","","","1.07","","","","has coordinates","273554","2022-03-09","09:07:27",""
"8104694","8.548","0.003","13.426","0.004","11.369","0.003","90","","103.093","0.004","90","","1270.8","0.7","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Zhang, Xing-Yu; Chen, Wei-chi; Liu, Mei-Feng","Crystal structure of 7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene from Arundina graminifolia, C16H16O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","729","730","10.1515/ncrs-2021-0053","","","0.71073","MoKα","","0.0513","0.0421","","","0.1171","0.1243","","","","","","1.053","","","","has coordinates","273555","2022-03-09","09:11:14",""
"8104695","9.7892","0.00012","12.71913","0.00014","20.9423","0.0003","90","","90","","90","","2607.53","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C128 H128 N8 O8 -","4","1","","Xu, Zeng-Bing; He, Jing-Yuan; Shi, Da-Bin","Crystal structure of 6,6′-((1E, 1′E)-(((1R, 2R)-1,2-diphenylethane-1,2-diyl) bis(azanylylidene))bis(methanylylidene))bis(2-ethylphenol), C32H32N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","731","733","10.1515/ncrs-2021-0060","","x-ray","1.54184","CuKα","","0.0542","0.0535","","","0.1357","0.1365","","","","","","1.075","","","","has coordinates","273556","2022-03-09","09:14:29",""
"8104696","9.3654","0.0002","8.0312","0.0002","12.7668","0.0003","90","","107.825","0.001","90","","914.16","0.04","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 I N2 O3 -","- C6 H9 I N2 O3 -","- C24 H36 I4 N8 O12 -","4","1","","Zeng, Yan; Du, Chao-Jun","The crystal structure of 2-amino-5-carboxypyridin-1-ium iodide monohydrate, C6H9IN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","735","736","10.1515/ncrs-2021-0059","","","0.71073","MoKα","","0.0182","0.0156","","","0.0347","0.0354","","","","","","1.095","","","","has coordinates","273557","2022-03-09","09:17:54",""
"8104697","9.0978","0.0014","18.58","0.003","15.476","0.002","90","","99.516","0.005","90","","2580","0.7","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 B F2 N2 -","- C16 H11 B F2 N2 -","- C128 H88 B8 F16 N16 -","8","2","","Ding, Siyi; Miao, Zong-Cheng","The crystal structure of 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H11BF2N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","737","739","10.1515/ncrs-2021-0002","","","1.34139","GaKα","","0.051","0.0406","","","0.1193","0.1307","","","","","","1.094","","","","has coordinates","273558","2022-03-09","09:25:01",""
"8104698","12.125","0.0004","13.6413","0.0004","8.1152","0.0003","90","","108.348","0.002","90","","1274.02","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","0.5","","Singh, Nijal K.; Soobramoney, Lynette; Shozi, Mzamo L.; Friedrich, Holger B.; Zamisa, Sizwe J.","Crystal structure of bis{(2-pyridinyl)-1-phenyl-1-isopropylmethanolato-κ2 N,O}nickel, C30H32N2NiO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","741","743","10.1515/ncrs-2021-0064","","","0.71073","MoKα","","0.0353","0.0285","","","0.0699","0.0711","","","","","","1.027","","","","has coordinates","273559","2022-03-09","09:29:07",""
"8104699","7.5246","0.0005","22.554","0.002","11.3358","0.0009","90","","91.881","0.007","90","","1922.8","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N2 Na O4 -","- C24 H23 N2 Na O4 -","- C96 H92 N8 Na4 O16 -","4","1","","Li-Hua, Wang; Li-Li, Liu; Shu-Hua, Cao; Xi-Shi, Tai","Crystal structure of poly[(m3-3-carboxyadamantane-1-carboxylato-κ3 O:O′:O″)-(phenanthroline-κ2 N,N′)sodium(II)], C24H23N2NaO4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","745","747","10.1515/ncrs-2021-0067","","x-ray","0.71073","MoKα","","0.072","0.0496","","","0.1043","0.1184","","","","","","1.038","","","","has coordinates","273560","2022-03-09","09:48:01",""
"8104700","9.2506","0.0002","36.1677","0.0013","12.9475","0.0003","90","","90","","90","","4331.9","0.2","294.43","0.1","294.43","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 B2 F4 N4 -","- C22 H20 B2 F4 N4 -","- C176 H160 B16 F32 N32 -","8","1","","Liu, Yingfan; Sun, Saisai; Ji, Guangqian; Li, Xiaochuan; Son, Young-A","Crystal structure of 2-phenylethynyl-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C22H20B2F4N4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","749","752","10.1515/ncrs-2021-0074","","x-ray","1.54184","CuKα","","0.0805","0.0729","","","0.1949","0.1992","","","","","","1.14","","","","has coordinates,has disorder","273561","2022-03-09","09:51:11",""
"8104701","9.7933","0.0002","17.529","0.0003","17.1148","0.0003","90","","101.242","0.001","90","","2881.67","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C128 H160 N16 O8 -","8","2","","Buthelezi, Sipho; Ibrahim, Halliru; Bala, Muhammad D.; Friedrich, Holger B.","Crystal structure of 4-tert-butyl-2-N-(2-pyridylmethyl)aminophenol, C16H20N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","753","756","10.1515/ncrs-2021-0065","","","0.71073","MoKα","","0.0612","0.0402","","","0.0976","0.1106","","","","","","1.015","","","","has coordinates","273562","2022-03-09","10:05:01",""
"8104702","6.088","0.01","8.911","0.014","16.44","0.03","81.772","0.017","84.683","0.018","76.045","0.017","855","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H12 N O -","- C9 H12 N O -","- C36 H48 N4 O4 -","4","2","","Xiao, Yingcong","The crystal structure of (3Z,3′Z)-4,4′-((1,4-phenylenebis(methylene))bis(azanediyl))bis(pent-3-en-2-one), C18H24N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","757","758","10.1515/ncrs-2021-0066","","","0.71073","MoKα","","0.0701","0.0511","","","0.1648","0.1858","","","","","","1.086","","","","has coordinates","273563","2022-03-09","10:08:51",""
"8104703","10.0821","0.0002","12.9409","0.0002","14.7183","0.0003","76.207","0.001","80.444","0.001","75.592","0.001","1794.63","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38 Au N O P2 S2 -","- C41 H38 Au N O P2 S2 -","- C82 H76 Au2 N2 O2 P4 S4 -","2","1","","Yusuf, Tunde L.; Pillay, Michael N.; Zamisa, Sizwe J.; van Zyl, Werner E.","Crystal structure of (morpholine-1-carbodithioato-κ2-S,S′)bis(triphenylphosphine-κ-P)gold(I), C41H38AuNOP2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","759","761","10.1515/ncrs-2021-0073","","","0.71073","MoKα","","0.0187","0.017","","","0.0399","0.0407","","","","","","1.039","","","","has coordinates","273564","2022-03-09","10:14:15",""
"8104704","9.483","0.0012","10.2313","0.0012","13.5948","0.0018","111.234","0.002","98.025","0.002","101.707","0.002","1170.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Br2 Cl N2 -","- C26 H19 Br2 Cl N2 -","- C52 H38 Br4 Cl2 N4 -","2","1","","Shao, Han-Qiao; Wang, Yin-Xin; Sun, Hai-Yang; Wang, Yu-Cai; Sun, Wu-Ji","Crystal structure of 1,4-bis(4-bromobenzyl)-4-(4-chlorophenyl)-1,4-dihydropyridine-3-carbonitrile, C26H19Br2ClN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","763","765","10.1515/ncrs-2021-0068","","","0.71073","MoKα","","0.0796","0.0444","","","0.1165","0.1273","","","","","","1.048","","","","has coordinates","273565","2022-03-09","10:27:25",""
"8104705","9.919","0.002","11.752","0.003","12.717","0.003","111.098","0.007","94.467","0.007","98.295","0.007","1355","0.6","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 N4 O5 Re S -","- C27 H23 N4 O5 Re S -","- C54 H46 N8 O10 Re2 S2 -","2","1","","Komane, Wesley K.; Mokolokolo, Pennie; Vatsha, Banele; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl (N′-benzoyl-N,N-diphenylcarbamimidothioato-κ2 S,O)-(pyrazole-κN)rhenium(I) — methanol (1/1) C26H23O4N4SRe","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","767","769","10.1515/ncrs-2021-0046","","","0.71073","MoKα","","0.038","0.0342","","","0.0825","0.0843","","","","","","1.078","","","","has coordinates","273566","2022-03-09","10:30:41",""
"8104706","6.7685","0.0005","12.8618","0.001","5.4685","0.0004","90","","90","","90","","476.06","0.06","298","2","298","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba2 Cl2 Mn O6 Se2 -","- Ba2 Cl2 Mn O6 Se2 -","- Ba4 Cl4 Mn2 O12 Se4 -","2","0.25","","Geng, Lei","The crystal structure of Ba 2 Mn(SeO3)2Cl2 containing 1 ∞[Mn(SeO3)2Cl2]4− chains","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","771","772","10.1515/ncrs-2021-0097","","","0.71073","MoKα","","0.02","0.0191","","","0.0843","0.0854","","","","","","1.077","","","","has coordinates","273567","2022-03-09","10:38:38",""
"8104707","11.8563","0.0006","12.6263","0.0006","13.4492","0.0006","113.563","0.002","96.74","0.002","104.429","0.002","1733.07","0.15","302","2","301.72","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 N4 O7 -","- C42 H38 N4 O7 -","- C84 H76 N8 O14 -","2","1","","Shi, Qing; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li","Crystal structure of 3,3′,3″-((1E,1′E,1″E)-((nitrilotris(ethane-2,1-diyl))tris(azaneylylidene)) tris(methaneylylidene))tris(4-hydroxy-1-naphthaldehyde) monohydrate, C42H36N4O6·H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","773","775","10.1515/ncrs-2021-0120","","","0.71073","MoKα","","0.061","0.047","","","0.1248","0.1328","","","","","","1.099","","","","has coordinates,has disorder","273584","2022-03-10","08:17:05",""
"8104708","17.827","0.004","11.021","0.002","7.0936","0.0014","90","","100.59","0.03","90","","1370","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(6-acetyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)benzonitrile","","- C14 H12 N6 O -","- C14 H12 N6 O -","- C56 H48 N24 O4 -","4","1","","Wang, Wenxiang","The crystal structure of 4-(6-acetyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)benzonitrile, C14H12N6O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","777","778","10.1515/ncrs-2021-0106","","","0.71073","MoKα","","0.1143","0.0824","","","0.2008","0.2208","","","","","","1.036","","","","has coordinates","273585","2022-03-10","08:20:17",""
"8104709","9.1511","0.0004","5.6679","0.0003","16.7731","0.0009","90","","93.435","0.002","90","","868.42","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","benzo[<i>d</i>][1,3]dioxol-5-yl 2-(6-methoxynaphthalen-2-yl)propanoate","","- C21 H18 O5 -","- C21 H18 O5 -","- C42 H36 O10 -","2","1","","Sun, Wei; Wang, Yan; Zhou, Xiao-ping; Zhang, Mu-xin; Yang, Jin-zhu; Liang, Di","Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","779","780","10.1515/ncrs-2021-0116","","","1.54178","CuKα","","0.0477","0.041","","","0.1139","0.1204","","","","","","1.069","","","","has coordinates","273586","2022-03-10","08:23:21",""
"8104710","18.861","0.004","12","0.002","17.787","0.004","90","","105.15","0.03","90","","3885.9","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N5 O2 S -","- C20 H19 N5 O2 S -","- C160 H152 N40 O16 S8 -","8","1","","Wang, Wenxiang","The crystal structure of ethyl 5-methyl-7-(4-(phenylthio)phenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C20H19N5O2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","781","783","10.1515/ncrs-2021-0122","","","0.71073","MoKα","","0.134","0.0654","","","0.1277","0.1538","","","","","","1.037","","","","has coordinates","273587","2022-03-10","08:26:46",""
"8104711","8.8207","0.0006","9.7818","0.0008","20.9498","0.0017","90","","97.259","0.003","90","","1793.1","0.2","273.15","","273.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C31 H46 N10 O8 -","- C31 H46 N10 O8 -","- C62 H92 N20 O16 -","2","0.5","","Xiong, Ying; An, Ya","Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C25H24N8O2·4H2O·2C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","785","787","10.1515/ncrs-2021-0091","","","0.71073","MoKα","","0.0571","0.0426","","","0.1208","0.1269","","","","","","1.074","","","","has coordinates","273588","2022-03-10","08:29:42",""
"8104712","6.9561","0.0005","7.304","0.0005","13.2883","0.0008","100.988","0.003","95.557","0.003","107.424","0.003","623.76","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","",";4-(2,4-dinitrophenoxy)benzaldehyde;","","- C13 H8 N2 O6 -","- C13 H8 N2 O6 -","- C26 H16 N4 O12 -","2","1","","Hao, Chen-Hong; Meng, Jiao; Tian, Jing; Luo, Xiao-Fang; Wang, Zong-Cheng","Synthesis and crystal structure of 4-(2,4-dinitrophenoxy)benzaldehyde, C13H8N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","789","790","10.1515/ncrs-2021-0099","","","0.71073","MoKα","","0.0595","0.0376","","","0.0886","0.1008","","","","","","1.035","","","","has coordinates,has disorder","273589","2022-03-10","08:33:13",""
"8104713","5.344","0.003","7.871","0.005","23.614","0.015","95.99","0.012","95.747","0.012","98.386","0.012","970.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H32 Br N O -","- C17 H32 Br N O -","- C34 H64 Br2 N2 O2 -","2","1","","Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong","The crystal structure of 1-dodecylpyridin-1-ium bromide monohydrate, C17H32BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","791","793","10.1515/ncrs-2021-0096","","","0.71073","MoKα","","0.1089","0.055","","","0.1278","0.1527","","","","","","0.925","","","","has coordinates","273590","2022-03-10","08:36:59",""
"8104714","7.2312","0.0001","17.7721","0.0003","11.0146","0.0002","90","","104.557","0.002","90","","1370.08","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N6 O3 -","- C10 H16 N6 O3 -","- C40 H64 N24 O12 -","4","1","","Liu, Xiao-Jing; Liu, E.; Jin, Ze-Sen; Li, Zhuang-Yu; Jian, Fang-Fang; Liang, Tongling","Crystal structure of (E)-amino(2-(4-(dimethylamino)benzylidene)hydrazineyl)methaniminium nitrate, C10H16N6O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","795","796","10.1515/ncrs-2021-0092","","x-ray","1.54184","CuKα","","0.0564","0.0532","","","0.1504","0.1537","","","","","","1.0403","","","","has coordinates","273591","2022-03-10","08:42:23",""
"8104715","7.3652","0.0003","16.8683","0.0007","8.3779","0.0003","90","","101.525","0.004","90","","1019.87","0.07","170","0.1","170","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N6 O4 -","- C6 H12 N6 O4 -","- C24 H48 N24 O16 -","4","1","","Jin, Ze-Sen; Liu, Xiao-jing; Li, Zhuang-Yu; Liu, E.; Jian, Fang-fang; Liang, Tongling","Crystal structure of (E)-(2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methaniminium nitrate monohydrate, C6H12N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","797","798","10.1515/ncrs-2021-0084","","x-ray","0.71073","MoKα","","0.0431","0.035","","","0.0976","0.1027","","","","","","1.0265","","","","has coordinates","273592","2022-03-10","08:46:23",""
"8104716","8.3112","0.0002","15.9513","0.0004","17.1068","0.0004","90","","99.671","0.002","90","","2235.69","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Cl2 Cu N12 -","- C36 H60 Cl2 Cu N12 -","- C72 H120 Cl4 Cu2 N24 -","2","0.5","","He, Qingpeng; Liu, Gang; Xue, Zechun","The crystal structure of hexakis(1-propylimidazole-κ1 N)copper(II) dichloride, C36H60Cl2CuN12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","799","801","10.1515/ncrs-2021-0087","","","1.54178","CuKα","","0.0598","0.0523","","","0.1505","0.1606","","","","","","1.038","","","","has coordinates,has disorder","273593","2022-03-10","08:49:49",""
"8104717","11.611","0.004","11.157","0.006","13.307","0.005","90","","100.12","0.03","90","","1697","1.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 Li2 N4 Si2 -","- C32 H54 Li2 N4 Si2 -","- C64 H108 Li4 N8 Si4 -","2","0.5","","Tong, Hong-Bo; Wang, Meng-Liang","The crystal structure of bis{(μ2-3,3-dimethyl-1-phenylbut-1-en-2-yl)((dimethylamino)dimethylsilyl)amido-κ3 N,N′:N′}dilithium, C32H54Li2N4Si2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","803","805","10.1515/ncrs-2021-0090","","","0.71073","MoKα","","0.065","0.0622","","","0.1539","0.1561","","","","","","1.008","","","","has coordinates","273594","2022-03-10","09:19:16",""
"8104718","6.8522","0.0009","8.4333","0.0011","13.1908","0.0018","90","","95.88","0.005","90","","758.24","0.17","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C36 H30 B2 N4 O4 -","2","1","","Ren, Huaping; Miao, Zong-Cheng","The crystal structure of methyl 4-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","807","808","10.1515/ncrs-2021-0082","","","1.34139","GaKα","","0.0391","0.0381","","","0.1056","0.1068","","","","","","1.079","","","","has coordinates","273595","2022-03-10","09:25:54",""
"8104719","21.9623","0.0008","9.7431","0.0004","16.1379","0.0005","90","","132.053","0.001","90","","2564.09","0.17","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H7 Cl F3 N3 O S -","- C11 H7 Cl F3 N3 O S -","- C88 H56 Cl8 F24 N24 O8 S8 -","8","1","","Zhao, Benbo; Yuan, Changchun; Xun, Miao-Miao; Fu, Kai","Crystal structure of (E)-N-(1-((2-chlorothiazol-5-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide, C11H7ClF3N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","809","810","10.1515/ncrs-2021-0089","","","0.71073","MoKα","","0.065","0.0456","","","0.0842","0.0938","","","","","","1.12","","","","has coordinates,has disorder","273596","2022-03-10","09:29:42",""
"8104720","8.0277","0.0006","11.146","0.001","15.8921","0.0013","99.439","0.003","102.525","0.003","95.309","0.003","1357.2","0.2","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N8 O4 -","- C26 H30 N8 O4 -","- C52 H60 N16 O8 -","2","1","","Xiong, Ying; An, Ya","Crystal structure of N′, N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis (methaneylylidene))di(picolinohydrazide) – water – methanol (1/1/1), C25H24N8O2·H2O·CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","811","813","10.1515/ncrs-2021-0083","","","0.71073","MoKα","","0.061","0.0442","","","0.109","0.1167","","","","","","1.066","","","","has coordinates","273597","2022-03-10","09:42:47",""
"8104721","21.218","0.006","5.9599","0.0016","9.439","0.003","90","","99.295","0.003","90","","1178","0.6","296","2","296.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C26 H21 Cl2 F3 N4 O -","- C26 H21 Cl2 F3 N4 O -","- C52 H42 Cl4 F6 N8 O2 -","2","1","","Fang, Shu-Fen; Peng, Wen-Wen; Xiong, Yuan-Zhen; Nie, Xu-Liang; Huang, Jian-Ping","Crystal structure of 3-(2-chloro-benzyl)-7-[4-(2-chloro-benzyl)-piperazin-1-yl]-5,6,8-trifluoro-3H-quinazolin-4-one, C 26 H 21 Cl 2 F 3 N 4 O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","815","817","10.1515/ncrs-2021-0085","","","0.71073","MoKα","","0.0492","0.0471","","","0.1271","0.1282","","","","","","1.031","","","","has coordinates","273598","2022-03-10","09:47:01",""
"8104722","12.4233","0.0011","7.3805","0.0007","18.9531","0.0016","90","","104.109","0.003","90","","1685.4","0.3","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F2 N2 -","- C20 H18 F2 N2 -","- C80 H72 F8 N8 -","4","1","","Ning, Zhi Wei; Gan, Lin Ling; Zhou, Shu Jing; Tian, Jie; Du, Yu Hui; Zhang, Hui Zhen","Crystal structure of N 1,N 2-bis(2-fluorobenzyl)benzene-1,2-diamine,C20H18F2N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","819","820","10.1515/ncrs-2021-0094","","","0.71073","MoKα","","0.107","0.0464","","","0.0954","0.1201","","","","","","0.946","","","","has coordinates,has disorder","273599","2022-03-10","09:51:06",""
"8104723","10.082","0.0014","13.1135","0.0019","20.644","0.003","90","","90","","90","","2729.3","0.7","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 B N2 O2 -","- C17 H13 B N2 O2 -","- C136 H104 B8 N16 O16 -","8","1","","Ren, Huaping; Miao, Zong-Cheng","The crystal structure of 2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C17H13BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","821","822","10.1515/ncrs-2021-0081","","","1.34139","GaKα","","0.0402","0.0373","","","0.0978","0.1005","","","","","","1.075","","","","has coordinates","273600","2022-03-10","09:59:30",""
"8104724","6.1463","0.0012","8.3637","0.0016","12.461","0.003","85.578","0.005","85.942","0.005","86.31","0.005","635.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 N4 O8 S2 -","- C18 H20 Br2 N4 O8 S2 -","- C18 H20 Br2 N4 O8 S2 -","1","0.5","","Ma, Ling; Yang, Ruoqi; Li, Jianqing","The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene)) bis(2-bromo-4-nitrophenol) — dimethylsulfoxide (1/2), C14H8Br2N4O6⋅2(C2H6OS)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","823","825","10.1515/ncrs-2021-0079","","","0.71073","MoKα","","0.1261","0.0601","","","0.0848","0.0983","","","","","","1.055","","","","has coordinates,has disorder","273601","2022-03-10","10:14:45",""
"8104725","7.1486","0.0003","7.8265","0.0003","13.6579","0.0005","81.085","0.003","77.487","0.004","73.335","0.004","711.13","0.05","290","1","290","1","","","","","","","","5","P 1","P 1","1","","","","- C13 H17 Cl2 N O2 -","- C13 H17 Cl2 N O2 -","- C26 H34 Cl4 N2 O4 -","2","2","","Luelf, U. Joost; Reiss, Guido J.; Bokel, Ansgar; Urlacher, Vlada B.","Selective biocatalytic synthesis and crystal structure of (2R,6R)-hydroxyketaminium chloride, C13H17Cl2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","827","829","10.1515/ncrs-2021-0055","","","0.71073","MoKα","","0.094","0.0536","","","0.0739","0.0878","","","","","","1.008","","","","has coordinates","273602","2022-03-10","10:18:56",""
"8104726","6.6434","0.0004","9.3788","0.0005","18.5581","0.001","86.262","0.002","89.642","0.002","84.726","0.002","1148.96","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Co4 N8 O26 -","- C36 H44 Co4 N8 O26 -","- C36 H44 Co4 N8 O26 -","1","0.5","","Li, Fenfang; Liu, Xiuping","Crystal structure of bis{tetraaqua-[μ3-1-(4-carboxylatophenyl)-5-methyl-1H-pyrazole-3-carboxylate-κ4 N,O,O′,O″] [μ2-1-methyl-1H-pyrazole-3,5-dicarboxylate-κ3 N,O:O]dicobalt(II)} dihydrate, C36H44Co4N8O26","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","831","833","10.1515/ncrs-2021-0080","","","0.71073","MoKα","","0.0302","0.0258","","","0.0659","0.0679","","","","","","1.268","","","","has coordinates","273603","2022-03-10","10:22:20",""
"8104727","27.191","0.003","8.7442","0.0003","20.861","0.002","90","","136.337","0.018","90","","3424.5","1.2","294.7","0.4","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C144 H160 O48 -","8","1","","Li, Peipei; Huang, Yu; Fan, Yanru; Wang, Hao","Crystal structure of diethyl-2,2′-naphthalene-2,3-diylbis(oxy)diacetate, C18H20O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","835","837","10.1515/ncrs-2021-0061","","","1.54184","CuKα","","0.0637","0.0553","","","0.1505","0.1625","","","","","","1.049","","","","has coordinates","273604","2022-03-10","10:25:23",""
"8104728","10.2994","0.0008","10.7795","0.0007","11.0038","0.0007","89.778","0.005","78.046","0.006","83.049","0.006","1186.11","0.15","292.9","0.1","292.9","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cd N6 O4 -","- C27 H18 Cd N6 O4 -","- C54 H36 Cd2 N12 O8 -","2","1","","Yang, Qing-Lin; Fu, Peng-Kun; Xiong, Ding-Qi; Zhang, Xiao-Yu; Jia, Mei-Mei; Dong, Xiu-Yan","Synthesis and crystal structure of poly[(μ3-2-(2-carboxylatophenyl)-1H-benzo[d]imidazole-5-carboxylato-κO,O′:O′;:O″, O″′)-(μ2-1-(4-(1Himidazol-1-yl)phenyl)-1H-imidazole-κ2N:N′)cadmium(II)], C27H18CdN6O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","839","841","10.1515/ncrs-2021-0098","","x-ray","0.71073","MoKα","","0.0526","0.0402","","","0.0726","0.0809","","","","","","1.037","","","","has coordinates","273605","2022-03-10","10:28:32",""
"8104729","4.408","0.0003","12.1316","0.001","14.0769","0.0012","102.81","0.007","97.455","0.007","97.982","0.007","716.81","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N4 O8 Zn -","- C32 H30 N4 O8 Zn -","- C32 H30 N4 O8 Zn -","1","0.5","","Du, Lian-Cai; Tai, Xi-Shi","The crystal structure of catena-poly[diaqua-bis(μ2-2-((2-(2-phenylacetyl)hydrazineylidene)methyl)benzoato-κ2 O:O')zinc(II)], C32H30N4O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","843","844","10.1515/ncrs-2021-0110","","x-ray","0.71073","MoKα","","0.0431","0.0367","","","0.0731","0.0761","","","","","","1.047","","","","has coordinates","273606","2022-03-10","10:34:55",""
"8104730","12.5782","0.0014","13.6724","0.0014","8.7113","0.0009","90","","97.819","0.006","90","","1484.2","0.3","193","2","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B N2 O2 -","- C18 H17 B N2 O2 -","- C72 H68 B4 N8 O8 -","4","1","","Ma, Qiang; Miao, Zong-Cheng","The crystal structure of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-naphtho [1,8-de][1,3,2]diazaborinine, C18H17BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","845","846","10.1515/ncrs-2021-0114","","","1.34139","GaKα","","0.0619","0.0482","","","0.1277","0.1357","","","","","","1.076","","","","has coordinates","273607","2022-03-10","10:38:17",""
"8104731","8.232","0.0009","16.2902","0.0016","17.3843","0.0017","90","","101.773","0.003","90","","2282.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cl2 N16 Ni -","- C40 H64 Cl2 N16 Ni -","- C80 H128 Cl4 N32 Ni2 -","2","0.5","","He, Qingpeng; Liu, Sen; Xue, Zechun","The crystal structure of hexakis(1-ethylimidazole-κ1 N)nickel(II) dichloride – 1-ethylimidazole (1/2), C40H64Cl2NiN16","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","847","849","10.1515/ncrs-2021-0113","","","0.71073","MoKα","","0.0623","0.0448","","","0.1102","0.1181","","","","","","1.044","","","","has coordinates,has disorder","273608","2022-03-10","10:40:41",""
"8104732","4.7705","0.0001","14.6219","0.0005","14.7418","0.0003","61.225","0.003","85.342","0.002","83.938","0.002","895.73","0.05","169.99","0.1","170","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cu2 N8 O27 -","- C24 H26 Cu2 N8 O27 -","- C24 H26 Cu2 N8 O27 -","1","0.5","","Liu, Xiao-Jing; Li, Wen-Yu; Guo, Zi-Yu; Liu, E.; Jian, Fang-Fang; Liang, Tongling","Crystal structure of diaqua-bis(2,4-dinitrophenolato-κ2 O,O′)copper(II) 1.5 hydrate, C12H13CuN4O13.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","851","853","10.1515/ncrs-2021-0093","","","1.54184","CuKα","","0.0505","0.0485","","","0.1323","0.1341","","","","","","1.0546","","","","has coordinates","273609","2022-03-10","10:44:33",""
"8104733","11.094","0.006","17.694","0.011","8.698","0.005","90","","103.56","0.02","90","","1659.8","1.7","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N6 O4 -","- C36 H40 N6 O4 -","- C72 H80 N12 O8 -","2","0.5","","Xiong, Ying; Gao, Chuan","Crystal structure of N′,N‴-((1E,1′E)-((decane-1,10-diylbis(oxy))bis(2,1-phenylene)) bis(methaneylylidene))di(isonicotinohydrazide), C36H40N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","855","856","10.1515/ncrs-2021-0125","","","0.71073","MoKα","","0.0784","0.047","","","0.1219","0.1375","","","","","","1.094","","","","has coordinates","273610","2022-03-10","10:47:04",""
"8104734","6.6936","0.0004","8.8892","0.0006","13.2577","0.0008","90","","97.74","0.001","90","","781.66","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Geng, Yi-Ding; Gong, Yi-Xia; Zhou, Shu-Jing; Wang, Gui-Yan","The crystal structure of 2-[(R)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","857","859","10.1515/ncrs-2021-0131","","","0.71073","MoKα","","0.0473","0.0387","","","0.0707","0.0741","","","","","","1.07","","","","has coordinates","273645","2022-03-11","09:29:18",""
"8104735","8.358","0.0017","10.22","0.002","11.227","0.002","85.25","0.03","81.35","0.03","88.72","0.03","944.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Usman, Rabia; Khan, Arshad; Al-Hazmi, Ghaferah H.; Refat, Moamen S.; He, Nongyue","Synthesis and crystal structure of (1E,2E)-3-(anthracen-9-yl)-1-(4-methoxyphenyl)prop-2-en-1-one oxime, C24H19NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","861","862","10.1515/ncrs-2021-0144","","","0.71073","MoKα","","0.2018","0.0873","","","0.1556","0.1988","","","","","","0.981","","","","has coordinates","273646","2022-03-11","09:34:57",""
"8104736","7.407","0.003","44.336","0.016","6.046","0.002","90","","90","","90","","1985.5","1.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H16 Br2 N0 O2 -","- C24 H16 Br2 O2 -","- C96 H64 Br8 O8 -","4","0.5","","Usman, Rabia; Khan, Arshad; Refat, Moamen S.; Al-Hazmi, Ghaferah H.; He, Nongyue","Synthesis and crystal structure of (2E,2′E)-3,3′-(1,3-phenylene)bis(1-(3-bromophenyl)prop-2-en-1-one), C24H16Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","863","864","10.1515/ncrs-2021-0139","","","0.71073","MoKα","","0.0901","0.0602","","","0.1208","0.1315","","","","","","1.135","","","","has coordinates","273647","2022-03-11","09:39:00",""
"8104737","8.6869","0.0007","9.0094","0.0008","9.5839","0.0008","74.288","0.007","87.672","0.007","76.11","0.007","700.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu N10 O6 -","- C28 H28 Cu N10 O6 -","- C28 H28 Cu N10 O6 -","1","0.5","","Chen, Hai-Lin; Lan, Jian-Jing; Qin, Yue; Yao, Dong-Mei; Wang, Yan-Ping; Li, Meng-Xi; Tan, Chuang","The crystal structure of catena-poly[bis(µ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene- κ2 N:N′)-bis(nitrato-κO)copper(II)], C28H28N10O6Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","865","866","10.1515/ncrs-2021-0135","","","0.71073","MoKα","","0.0649","0.0492","","","0.0882","0.0979","","","","","","1.046","","","","has coordinates","273648","2022-03-11","09:42:30",""
"8104738","10.414","0.002","10.589","0.002","16.872","0.003","90","","90","","90","","1860.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Usman, Rabia; Khan, Arshad; Refat, Moamen S.; He, Nongyue","Synthesis and crystal structure of the novel chiral acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline, C23H18N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","867","869","10.1515/ncrs-2021-0127","","","0.71073","MoKα","","0.0988","0.0588","","","0.1262","0.1464","","","","","","1.029","","","","has coordinates","273649","2022-03-11","09:45:10",""
"8104739","6.0194","0.0004","20.9249","0.0013","7.7103","0.0005","90","","107.783","0.002","90","","924.75","0.1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N O S -","- C9 H11 N O S -","- C36 H44 N4 O4 S4 -","4","1","","Yoo, Miri; Koh, Dongsoo","Crystal structure of (E)-3-(dimethylamino)-1-(thiophen-3-yl)prop-2-en-1-one, C9H11NOS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","871","872","10.1515/ncrs-2021-0137","","","0.71073","MoKα","","0.0443","0.0373","","","0.0992","0.1061","","","","","","1.062","","","","has coordinates","273650","2022-03-11","09:48:05",""
"8104740","11.0801","0.0004","6.8489","0.0003","35.3975","0.0013","90","","90","","90","","2686.19","0.18","291.66","0.12","291.66","0.12","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cu I N5 O5 -","- C9 H8 Cu I N5 O5 -","- C72 H64 Cu8 I8 N40 O40 -","8","1","","Lv, Benlian","Crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 N,O,O′)-(μ2-4-amino-4H-1,2,4-triazole-κ2 N:N′) copper(II)], C9H8N5O5CuI","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","873","875","10.1515/ncrs-2021-0112","","x-ray","0.71073","MoKα","","0.0346","0.0325","","","0.0699","0.0707","","","","","","1.241","","","","has coordinates","273651","2022-03-11","09:50:57",""
"8104741","5.376","0.002","15.787","0.006","21.103","0.007","90","","92.356","0.006","90","","1789.5","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N0 O3 -","- C24 H18 O3 -","- C96 H72 O12 -","4","1","","Zeng, Li; Tang, Gui-Yun; Wang, Yu-Cai; Liu, Chun-Yan","Crystal structure of cyclopropane-1,2,3-triyltris(phenylmethanone), C24H18O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","877","878","10.1515/ncrs-2021-0126","","","0.71073","MoKα","","0.1059","0.0569","","","0.1015","0.1166","","","","","","1.078","","","","has coordinates","273652","2022-03-11","09:53:58",""
"8104742","13.378","0.004","5.0129","0.0014","13.396","0.004","90","","96.118","0.004","90","","893.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N8 O4 S2 -","- C12 H18 N8 O4 S2 -","- C24 H36 N16 O8 S4 -","2","0.5","","Hou, Yimin; Zhang, Zhongyun; Zhu, Xin","Crystal structure of bis(amino(thioureido)methaniminium) terephthalate, C12H18N8O4S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","879","880","10.1515/ncrs-2021-0107","","","0.71073","MoKα","","0.0901","0.0561","","","0.1098","0.1201","","","","","","0.808","","","","has coordinates","273653","2022-03-11","09:56:49",""
"8104743","14.1635","0.0008","12.1381","0.0006","14.4528","0.0007","90","","104.361","0.002","90","","2407.1","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Eu N2 O10 -","- C21 H25 Eu N2 O10 -","- C84 H100 Eu4 N8 O40 -","4","1","","Song, Wenqi; Zhu, Yanfang; Miao, Zong-Cheng","A three-dimensional Eu(III) framework in the crystal structure of dimethylaminium poly[dimethylformamide-κ1 N)bis(μ4-terephthalato-κ4 O:O′:O′′:O′′′)europium(III)] monohydrate, C21H25EuN2O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","881","883","10.1515/ncrs-2021-0101","","","0.71073","MoKα","","0.0341","0.0304","","","0.0864","0.0893","","","","","","1.059","","","","has coordinates","273654","2022-03-11","09:59:34",""
"8104744","5.7726","0.001","12.662","0.002","12.068","0.003","90","","92.377","0.011","90","","881.3","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C42 H40 O8 -","2","1","","Sun, Wei; Shi, Zhe; Wang, Yan; Zhou, Xiao-ping; Liang, Di","Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C21H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","885","886","10.1515/ncrs-2021-0134","","","1.54178","CuKα","","0.0384","0.0342","","","0.0855","0.0887","","","","","","1.054","","","","has coordinates","273655","2022-03-11","10:02:14",""
"8104745","16.768","0.0008","16.768","0.0008","9.7523","0.0004","90","","90","","120","","2374.65","0.19","213","","213","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H60 Mo2 N6 -","- C24 H60 Mo2 N6 -","- C72 H180 Mo6 N18 -","3","0.166667","","Brauner, Tobias; Wagner, Christoph; Merzweiler, Kurt","The crystal structure of Hexakis(diethylamido)dimolybdenum, Mo2(NEt2)6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","887","889","10.1515/ncrs-2021-0138","","","0.71073","MoKα","","0.0211","0.0205","","","0.0513","0.0517","","","","","","1.108","","","","has coordinates","273656","2022-03-11","10:06:03",""
"8104746","16.136","0.004","16.432","0.004","23.881","0.006","90","","101.9","0.003","90","","6196","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H57 Cl2 N13 Ni3 O6 -","- C63 H57 Cl2 N13 Ni3 O6 -","- C252 H228 Cl8 N52 Ni12 O24 -","4","1","","Yang, Liguo; Wang, Xin; Luo, Dan; Liu, Nana; Tian, Dayong","The crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxidoethylidene)benzohydrazonato-κ5 N,O,O′:N′,O′′)hexkis(pyridine-κ1 N)trinickel(II) - pyridine (1/1), C63H57Cl2N13Ni3O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","487","490","10.1515/ncrs-2020-0600","","","0.71073","MoKα","","0.0656","0.0461","","","0.1195","0.1357","","","","","","1.029","","","","has coordinates","273657","2022-03-11","10:09:21",""
"8104747","17.657","0.003","16.047","0.003","18.346","0.003","90","","109.062","0.004","90","","4913.2","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H82 Cl2 N8 Ni2 O15 -","- C36 H82 Cl2 N8 Ni2 O15 -","- C144 H328 Cl8 N32 Ni8 O60 -","4","1","","Li, Wen-Yi; Ou, Guang-Chuan","Crystal structure of [(μ2-succinato κ3 O,O′:O′′)-bis-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)]dinickel(II)] diperchlorate, dihydrate C36H82Cl2N8Ni2O15","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","491","493","10.1515/ncrs-2020-0616","","","0.71073","MoKα","","0.0939","0.0561","","","0.1445","0.1664","","","","","","1.036","","","","has coordinates","273658","2022-03-11","10:23:44",""
"8104748","22.39","0.004","6.2758","0.0013","14.962","0.003","90","","104.15","0.03","90","","2038.6","0.7","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cd N4 O9 -","- C18 H14 Cd N4 O9 -","- C72 H56 Cd4 N16 O36 -","4","0.5","","Chang, Si-Yuan; Li, Bing-Feng","Crystal structure of catena-poly[aquabis(3-nitrobenzoato-κ2 O:O′)-(μ 2-pyrazine-N: N′)cadmium(II)], C18H14N4O9Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","495","497","10.1515/ncrs-2020-0628","","","0.71073","MoKα","","0.0265","0.0238","","","0.0515","0.0539","","","","","","1.066","","","","has coordinates,has disorder","273659","2022-03-11","10:26:43",""
"8104749","11.5474","0.001","11.0737","0.0007","11.4311","0.001","90","","114.979","0.011","90","","1325","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F2 N O2 -","- C14 H15 F2 N O2 -","- C56 H60 F8 N4 O8 -","4","1","","Li, Huixing; Han, Xinlong; Cao, Bin","Crystal structure of 4-(2,2-difluoroethyl)-2,4,6-trimethylisoquinoline-1,3(2H,4H)-dione, C14H15F2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","499","501","10.1515/ncrs-2020-0635","","","0.71073","MoKα","","0.099","0.0738","","","0.1862","0.2034","","","","","","1.084","","","","has coordinates,has disorder","273660","2022-03-11","10:29:28",""
"8104750","9.7499","0.0003","12.9758","0.0004","8.2681","0.0003","90","","103.784","0.002","90","","1015.9","0.06","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","thioxanthen-9-one-10,10-dioxide","thioxanthen-9-one-10,10-dioxide","","- C13 H8 O3 S -","- C13 H8 O3 S -","- C52 H32 O12 S4 -","4","0.5","","Hosten, Eric C.; Betz, Richard","The crystal structure of thioxanthen-9-one-10,10-dioxide, C13H8O3S – a second polymorph","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","503","505","10.1515/ncrs-2020-0578","","","0.71073","MoKα","","0.0331","0.0318","","","0.0914","0.0927","","","","","","1.086","","","","has coordinates","273661","2022-03-11","10:32:07",""
"8104751","14.0279","0.0013","7.0527","0.0005","14.415","0.0016","90","","113.165","0.012","90","","1311.2","0.2","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C68 H56 F4 N4 O8 -","4","1","","Zhang, Xiao-Fan; Meng, Qing-Guo","Crystal structure of (E)-2-((2-methoxy-3-pyridyl)methylene)-7-fluoro-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","507","509","10.1515/ncrs-2020-0603","","","0.71073","MoKα","","0.0703","0.0524","","","0.1236","0.1358","","","","","","1.029","","","","has coordinates","273662","2022-03-11","10:34:43",""
"8104752","6.3783","0.0004","8.263","0.0005","10.5891","0.0007","90","","90.877","0.002","90","","558.02","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","diaquahydrogen 2,5-dimethylbenzenesulphonate","diaquahydrogen 2,5-dimethylbenzenesulphonate","","- C8 H14 O5 S -","- C8 H14 O5 S -","- C16 H28 O10 S2 -","2","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of diaquahydrogen 2,5-dimethylbenzenesulphonate, C8H14O5S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","511","513","10.1515/ncrs-2020-0595","","","0.71073","MoKα","","0.0265","0.0254","","","0.0705","0.0715","","","","","","1.063","","","","has coordinates","273663","2022-03-11","10:37:18",""
"8104753","8.6755","0.0003","8.6755","0.0003","11.1611","0.0004","90","","90","","90","","840.03","0.05","296","2","296","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","2,4-dicyclohexyliminepentane","2,4-dicyclohexyliminepentane","","- C17 H30 N2 -","- C17 H30 N2 -","- C34 H60 N4 -","2","0.25","","Hosten, Eric C.; Betz, Richard","The crystal structure of N-(4-(cyclohexylimino)pent-2-en-2-yl)cyclohexanamine, C17H30N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","515","517","10.1515/ncrs-2020-0579","","","0.71073","MoKα","","0.0531","0.0488","","","0.1367","0.1417","","","","","","1.073","","","","has coordinates","273690","2022-03-15","09:32:59",""
"8104754","9.0331","0.0009","13.4475","0.0014","27.586","0.003","90","","94.879","0.009","90","","3338.8","0.6","290","2","290","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H14 Br2 N2 -","- C8 H14 Br2 N2 -","- C96 H168 Br24 N24 -","12","1.5","","Brandt, Niklas; Reiss, Guido J.","The twinned crystal structure of 1,3-phenylenedimethanaminium dibromide, C8H14Br2N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","519","521","10.1515/ncrs-2020-0618","","","0.71073","MoKα","","0.1025","0.0582","","","0.0849","0.0885","","","","","","1.565","","","","has coordinates","273691","2022-03-15","09:39:13",""
"8104755","4.6658","0.00001","12.2129","0.0004","17.0355","0.0005","74.925","0.002","86.398","0.002","88.04","0.002","935.31","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N5 O10 S -","- C16 H11 N5 O10 S -","- C32 H22 N10 O20 S2 -","2","1","","Cao, Huizhi; Yan, Mi; Huang, Shiliang; He, Xuan; Cao, Xiong","Crystal structure of 2,4,7,9-tetranitro-10H-benzofuro[3,2-b]indole – dimethyl sulfoxide (1/1), C16H11N5O10S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","523","525","10.1515/ncrs-2020-0614","","","1.54178","CuKα","","0.0864","0.0642","","","0.1605","0.1744","","","","","","1.068","","","","has coordinates,has disorder","273692","2022-03-15","09:48:08",""
"8104756","16.593","0.0005","5.7298","0.0002","20.8714","0.0006","90","","99.862","0.001","90","","1955.02","0.11","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C96 H72 N16 O16 -","4","1","","Jeong, Yu Jeong; Park, Juhyeon; Min, Ahreum; Kim, Tae Ho; Choi, Myong Yong","Crystal structure of 2,6-bis(2-(pyridin-3-yl)ethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone, C24H18N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","527","529","10.1515/ncrs-2020-0626","","","0.71073","MoKα","","0.0533","0.0415","","","0.1036","0.1115","","","","","","1.047","","","","has coordinates","273693","2022-03-15","10:16:43",""
"8104757","12.0518","0.0015","9.7403","0.0011","6.9562","0.0009","90","","99.047","0.004","90","","806.42","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4-dichlorobenzoic acid chloride","3,4-dichlorobenzoic acid chloride","","- C7 H3 Cl3 O -","- C7 H3 Cl3 O -","- C28 H12 Cl12 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 3,4-dichlorobenzoic acid chloride, C7H3Cl3O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","531","532","10.1515/ncrs-2020-0561","","","0.71073","MoKα","","0.0377","0.0316","","","0.0761","0.0793","","","","","","1.097","","","","has coordinates","273694","2022-03-15","10:19:36",""
"8104758","9.4677","0.0013","12.0147","0.0017","13.571","0.003","102.907","0.003","102.302","0.003","110.419","0.002","1336.7","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N6 S4 Zn -","- C26 H18 N6 S4 Zn -","- C52 H36 N12 S8 Zn2 -","2","1","","Yan, Wei-Hong; Liu, Xue-Guo; Shen, Ming-Le; Pan, Hui-Yan","Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-k2 S:S)zinc(II), C26H18N6ZnS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","533","535","10.1515/ncrs-2020-0624","","","0.71073","MoKα","","0.052","0.0441","","","0.1155","0.1202","","","","","","0.967","","","","has coordinates","273695","2022-03-15","10:22:54",""
"8104759","32.663","0.007","7.4214","0.0015","21.785","0.004","90","","131.68","0.03","90","","3944","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tetrakis(<i>μ</i>-naphthalene-1-carboxylato-<i>κ</i>^2^O,O') bis(methanol)copper(II)","","- C46 H36 Cu2 O10 -","- C46 H36 Cu2 O10 -","- C184 H144 Cu8 O40 -","4","0.5","","Shi, Li-Qin","Crystal structure of tetrakis(μ-naphthalene-1-carboxylato-κ 2 O,O′)bis(methanol)copper(II), C46H36Cu2O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","537","539","10.1515/ncrs-2020-0622","","","0.71073","MoKα","","0.0936","0.0478","","","0.1002","0.1583","","","","","","1.186","","","","has coordinates","273696","2022-03-15","10:26:10",""
"8104760","9.277","0.0007","8.4582","0.0006","13.443","0.0012","90","","98.199","0.008","90","","1044.05","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Ke, Yu-Jing; Liang, Peng-Jie; Wang, Peng-Cheng; Xian, Shao-Hua; Li, Guo-Qiang","Crystal structure of 9-methyl-3-methylene-1,2,3,9-tetrahydro-4H-carbazol-4-one, C14H13NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","541","542","10.1515/ncrs-2020-0617","","x-ray","0.71073","MoKα","","0.0633","0.0484","","","0.1049","0.1151","","","","","","1.043","","","","has coordinates","273720","2022-03-16","08:52:01",""
"8104761","7.3376","0.0008","37.536","0.004","7.7149","0.0008","90","","117.119","0.001","90","","1891.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 N9 O7 S2 -","- C12 H19 N9 O7 S2 -","- C48 H76 N36 O28 S8 -","4","1","","Wang, Peizhi; Wang, Rui; Zhang, Tingting","Crystal structure of bis(amino(carbamothioylamino)methaniminium) 3-nitrophthalate monohydrate, C12H19N9O7S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","543","544","10.1515/ncrs-2020-0611","","","0.71073","MoKα","","0.0482","0.0453","","","0.1288","0.1321","","","","","","1.007","","","","has coordinates","273721","2022-03-16","08:55:26",""
"8104762","7.0474","0.0007","12.7519","0.0012","28.194","0.003","90","","93.984","0.002","90","","2527.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-(1,2-phenylenebis(methylene))bis(1-Ethyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V)","","- C18 H24 F12 N4 P2 -","- C18 H24 F12 N4 P2 -","- C72 H96 F48 N16 P8 -","4","1","","Zhao, Wen; Liu, Xin-Ting; Wu, Su-Qin; Xiong, Wan-Ming; Nie, Xu-Liang","Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-ethyl-1H-imidazol-3-ium) bis(hexafluorophosphate), C18H24F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","545","547","10.1515/ncrs-2020-0639","","","0.71073","MoKα","","0.1291","0.0531","","","0.1114","0.1424","","","","","","0.974","","","","has coordinates,has disorder","273722","2022-03-16","08:58:37",""
"8104763","9.0005","0.0011","16.0386","0.0015","9.8434","0.0011","90","","114.861","0.014","90","","1289.3","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Zou, Ting-Guang; Guo, Si-Yu; Zhu, Jing-Lin; Wang, Sheng; Lin, Ling-Yin; Tao, Yi-Wen","The crystal structure of 5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one– rubrofusarin B, C16H14O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","549","550","10.1515/ncrs-2020-0645","","x-ray","0.71073","MoKα","","0.058","0.0458","","","0.1151","0.1245","","","","","","1.062","","","","has coordinates","273723","2022-03-16","09:23:13",""
"8104764","7.4412","0.0006","8.2273","0.0007","8.6693","0.0007","72.516","0.007","76.827","0.007","63.444","0.009","450.08","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Mn N4 O6 -","- C16 H22 Mn N4 O6 -","- C16 H22 Mn N4 O6 -","1","0.5","","Xi-Shi, Tai; Li-Li, Zhang; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang","The crystal structure of bis(ethanol-kO)- bis(6-aminopicolinato-k2 N,O)manganese(II), C16H22O6N4Mn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","551","552","10.1515/ncrs-2020-0644","","x-ray","0.71073","MoKα","","0.0454","0.0378","","","0.0707","0.0755","","","","","","1.024","","","","has coordinates","273724","2022-03-16","09:26:59",""
"8104765","17.7949","0.0019","9.3979","0.001","15.3455","0.0016","90","","90","","90","","2566.3","0.5","296","2","296.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","3,3'-((carbonylbis(azanediyl))bis(ethane-2,1-diyl))bis(1- methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate","","- C21 H28 B2 F8 N6 O2 -","- C21 H28 B2 F8 N6 O2 -","- C84 H112 B8 F32 N24 O8 -","4","0.5","","Dong, Zhi-Yun; Xi, Fu-Gui; Xu, Xing-Yu","The crystal structure of 3,3′-((carbonylbis(azanediyl))bis(ethane-2,1-diyl)) bis(1-methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate, C21H28N6O3B2F8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","553","555","10.1515/ncrs-2020-0646","","","0.71073","MoKα","","0.1014","0.0567","","","0.1515","0.1846","","","","","","1.028","","","","has coordinates","273725","2022-03-16","09:30:47",""
"8104766","10.3831","0.0007","17.0139","0.0012","12.2649","0.0009","90","","102.623","0.001","90","","2114.3","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N3 Ni O4 -","- C20 H24 Cl N3 Ni O4 -","- C80 H96 Cl4 N12 Ni4 O16 -","4","1","","Gu, Long; Pang, Haixia; Tang, Qiang; Min, Jie; Ma, Li; Pan, Peiran","Crystal structure of dimethanol-dichlorido-bis( μ 2-2-(((1,5-dimethyl-3-oxo-2- phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato- κ4 O:O,O′,N)dinickel (II), C20H24ClNiN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","557","559","10.1515/ncrs-2020-0637","","","0.71073","MoKα","","0.0407","0.0318","","","0.0939","0.1066","","","","","","1.095","","","","has coordinates,has disorder","273726","2022-03-16","09:33:39",""
"8104767","11.3688","0.0004","10.6836","0.0003","14.4518","0.0005","90","","112.532","0.001","90","","1621.32","0.09","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C56 H48 F24 N8 O16 -","8","2","","Yang, De-Zheng; Gao, Ting; Zhao, Chun-Shen; Chai, Hui-Fang","The crystal structure of methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate, C7H6F3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","561","563","10.1515/ncrs-2020-0630","","","0.71073","MoKα","","0.0839","0.0554","","","0.1413","0.1647","","","","","","1.024","","","","has coordinates","273727","2022-03-16","09:37:13",""
"8104768","9.2591","0.0004","9.6573","0.0005","16.9256","0.0009","102.707","0.002","96.854","0.002","112.55","0.002","1328.2","0.12","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","aqua-<i>κO</i>-bis(<i>trans</i>-<i>η</i>^1^-trifluoroacetato-<i>κO</i>)-\ tris(3-bromopyridine-<i>κN</i>)-cadmium(II)","","- C19 H14 Br3 Cd F6 N3 O5 -","- C19 H14 Br3 Cd F6 N3 O5 -","- C38 H28 Br6 Cd2 F12 N6 O10 -","2","1","","Zhang, Lan; Wang, Lu; Ding, Wu-Xiu; Wang, Qiang; Chen, Meng-Juan","Crystal structure of (OC‐6‐13)‐aqua‐tris (3‐bromopyridine‐κ1 N)‐bis(trifluoroacetato‐κ1 O)cadmium(II) C19H14Br3CdF6N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","565","567","10.1515/ncrs-2020-0631","","","0.71073","MoKα","","0.0433","0.0291","","","0.0574","0.0625","","","","","","1.006","","","","has coordinates,has disorder","273728","2022-03-16","09:43:52",""
"8104769","8.5293","0.0008","11.5626","0.0011","14.2196","0.0013","88.888","0.001","74.988","0.001","87.556","0.001","1353.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(E)-3-(4-(2-ethoxy-2-oxoethoxy)phenyl) acrylate","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","2","","Chun-Mei, Guo; Lu-Yao, Yi; Lei, Pan; Yuan, You; Xu-Liang, Nie","Crystal structure of methyl (E)-3-(4-(2-ethoxy-2-oxoethoxy)phenyl) acrylate, C14H16O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","569","571","10.1515/ncrs-2020-0634","","","0.71073","MoKα","","0.0583","0.043","","","0.1062","0.1202","","","","","","1.042","","","","has coordinates","273729","2022-03-16","09:46:49",""
"8104770","18.0207","0.0013","7.6885","0.0005","18.2326","0.0013","90","","90","","90","","2526.2","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","methyl 4-acetoxy-3,5-dimethoxybenzoate","","- C12 H14 O6 -","- C12 H14 O6 -","- C96 H112 O48 -","8","1","","Xiong, Chun-Lan; Lan, Ying-Dong; Song, Xiu-Ying; Xiong, Wan-Ming; Nie, Xu-Liang","Crystal structure of methyl 4-acetoxy-3,5-dimethoxybenzoate, C12H14O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","573","575","10.1515/ncrs-2020-0632","","","0.71073","MoKα","","0.0504","0.0411","","","0.1085","0.1214","","","","","","1.065","","","","has coordinates","273730","2022-03-16","09:50:53",""
"8104771","11.7584","0.0005","7.4336","0.0003","14.1134","0.0006","90","","104.861","0.002","90","","1192.35","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Cl N2 O -","- C13 H8 Br Cl N2 O -","- C52 H32 Br4 Cl4 N8 O4 -","4","1","","Li, Weili; Yang, Bo","The crystal structure of 2-(1H-benzimidazol-2-yl)-3-bromo-5-chlorophenol, C13H8BrClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","577","578","10.1515/ncrs-2020-0647","","","0.71073","MoKα","","0.0403","0.0301","","","0.0742","0.0794","","","","","","1.046","","","","has coordinates","273731","2022-03-16","09:53:57",""
"8104772","24.084","0.009","12.152","0.005","17.404","0.007","90","","109.984","0.004","90","","4787","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H45 Cl2 Cu3 N9 O6 -","- C47 H45 Cl2 Cu3 N9 O6 -","- C188 H180 Cl8 Cu12 N36 O24 -","4","0.5","","Liguo, Yang; Chaoyang, Zhang; Kai, Wang; Shengxian, Zhai; Nana, Liu","The crystal structure of bis(μ2-5-chloro-N-(2-methyl-1-oxidopropylidene)-2-oxidobenzohydrazonate-κ5 N,O,O′:N′,O′′)pentakis(pyridine-κ1 N)tricopper(II), C47H45Cl2N9Cu3O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","579","581","10.1515/ncrs-2020-0601","","","0.71073","MoKα","","0.0595","0.0455","","","0.1161","0.1363","","","","","","1.115","","","","has coordinates","273732","2022-03-16","09:56:34",""
"8104773","12.7095","0.0003","17.4705","0.0004","8.5763","0.0003","90","","93.292","0.001","90","","1901.15","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cd N6 O7 -","- C14 H16 Cd N6 O7 -","- C56 H64 Cd4 N24 O28 -","4","1","","Meng, Cong-Cong; He, Jing-Xian; Gou, Hao","Synthesis and crystal structure of catena-poly[aqua-bis(nitrato-κ 2 O:O′)- (μ 2-((1 H-imidazol-1-yl)methyl)benzene-κ 2 N,N′)-H2O-κ 2O]cadmium(II), C14H16N6O7Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","583","585","10.1515/ncrs-2020-0619","","","0.71073","MoKα","","0.0322","0.0263","","","0.094","0.1047","","","","","","0.839","","","","has coordinates","273733","2022-03-16","09:59:23",""
"8104774","9.0892","0.0006","27.6631","0.0018","11.3409","0.0008","90","","106.409","0.002","90","","2735.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Fe2 O6 P S2 -","- C26 H21 Fe2 O6 P S2 -","- C104 H84 Fe8 O24 P4 S8 -","4","1","","Gao, Wei; Bai, Yan-Jie; Mao, Jia-Le; Guo, Xue-Quan","The crystal structure of pentakis(carbonyl)-{μ-[2,3-bis(sulfanyl)propan-1-olato]}-(triphenylphosphane)diiron (Fe–Fe)C26H21Fe2O6PS2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","587","589","10.1515/ncrs-2021-0003","","","0.71073","MoKα","","0.1081","0.067","","","0.1436","0.162","","","","","","1.075","","","","has coordinates,has disorder","273734","2022-03-16","10:02:52",""
"8104775","8.1998","0.0004","9.132","0.0004","10.7062","0.0006","106.183","0.005","111.506","0.005","97.589","0.004","691.27","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ethyl 2-(3-benzoylthioureido)propanoate","ethyl 2-methyl-4-thio-6-oxo-6-phenyl-3,5-diazahexanoate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C26 H32 N4 O6 S2 -","2","1","","Chong, Yan Yi; Mark-Lee, Wun Fui; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","Crystal structure of ethyl-2-(3-benzoylthioureido)propanoate, C13H16N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","591","593","10.1515/ncrs-2020-0623","","","1.54178","CuKα","","0.0373","0.0346","","","0.0932","0.0957","","","","","","1.042","","","","has coordinates","273735","2022-03-16","10:05:57",""
"8104776","11.3744","0.0016","13.7367","0.0015","11.208","0.002","90","","118.51","0.02","90","","1538.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Dan, Yan Rong; Gan, Lin Ling; Yu, Yu","Crystal structure of 2-methoxy-4b,5,14,15-tetrahydro-6H-isoquinolino[2′,1′:1,6] pyrazino[2,3-b]quinoxaline, C19H18N4O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","595","597","10.1515/ncrs-2021-0008","","x-ray","0.71073","MoKα","","0.0623","0.0494","","","0.1223","0.1327","","","","","","1.03","","","","has coordinates","273736","2022-03-16","10:09:38",""
"8104777","6.8492","0.0014","11.515","0.002","10.018","0.002","90","","107.11","0.03","90","","755.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","","Li, Weili; Yang, Bo","Crystal structure of 2,2′-[ethane-1,2-diylbis(azanylylidenemethylylidene)]bis(6-chlorophenol), C16H14Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","599","600","10.1515/ncrs-2020-0642","","","0.71073","MoKα","","0.0877","0.0592","","","0.1225","0.1369","","","","","","1.127","","","","has coordinates","273777","2022-03-18","07:33:25",""
"8104778","13.674","0.003","7.39","0.0014","20.862","0.004","90","","106.728","0.007","90","","2018.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Zhang, Weilian; Zuo, Zhenyu; Yanhui, Chen; Bin, Liu","The crystal structure of (Z)-3-((2-(2-(2-aminophenoxy)ethoxy)phenyl)amino)-1-phenylbut-2-en-1-one, C24H24N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","601","603","10.1515/ncrs-2021-0022","","","0.71073","MoKα","","0.1313","0.0633","","","0.1538","0.1804","","","","","","0.942","","","","has coordinates","273778","2022-03-18","07:36:55",""
"8104779","29.0466","0.0011","5.2448","0.0003","14.4825","0.0007","90","","90","","90","","2206.32","0.19","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine","","- C28 H23 N3 O3 -","- C28 H23 N3 O3 -","- C112 H92 N12 O12 -","4","1","","Yang, Zhuqing; Hou, Meng","The crystal structure of 10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine dihydrate, C28H23N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","605","607","10.1515/ncrs-2021-0001","","x-ray","1.54184","CuKα","","0.0583","0.0511","","","0.1252","0.1341","","","","","","1.074","","","","has coordinates","273779","2022-03-18","07:40:39",""
"8104780","7.34","0.001","7.34","0.001","18.285","0.004","90","","90","","90","","985.1","0.3","100","2","100","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C8 H8 N4 O3 Zn -","- C8 H8 N4 O3 Zn -","- C32 H32 N16 O12 Zn4 -","4","0.5","","Zheng, Huan; Feng, Sisi; Lu, Liping","Crystal structure of poly[dipoly[aqua-di(µ2-pyrazin-2-olato-κ2 N:N′) zinc(II)], C8H8N4O3Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","609","611","10.1515/ncrs-2021-0023","","","0.72","synchrotron","","0.0425","0.0404","","","0.1189","0.1214","","","","","","1.052","","","","has coordinates","273780","2022-03-18","07:44:20",""
"8104781","15.803","0.0007","7.6794","0.0003","7.097","0.0003","90","","110.846","0.0017","90","","804.89","0.06","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","<i>catena</i>-[tetra(μ~2~-cyanido)-bis(<i>N,N</i>-dimethylformamide- κ-<i>O</i>)-manganese(II)-platinum(II)]","","- C10 H14 Mn N6 O2 Pt -","- C10 H14 Mn N6 O2 Pt -","- C20 H28 Mn2 N12 O4 Pt2 -","2","0.25","","Ha, Kwang","Crystal structure of poly[tetra(μ 2-cyanido-κ2 N:O)-bis(N,N-dimethylformamide-κO)-manganese(II)-platinum(II)], C10H14MnN6O2Pt","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","613","614","10.1515/ncrs-2021-0028","","","0.71073","MoKα","","0.0108","0.0108","","","0.0266","0.0266","","","","","","1.099","","","","has coordinates","273781","2022-03-18","07:48:07",""
"8104782","12.3098","0.0005","13.1697","0.0005","12.4555","0.0006","90","","117.159","0.001","90","","1796.61","0.13","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl5 Mn N2 O3 -","- C16 H12 Cl5 Mn N2 O3 -","- C64 H48 Cl20 Mn4 N8 O12 -","4","1","","Liu, Dian; Yu, Guojun","The crystal structure of aqua-chlorido-6,6′-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-dichlorophenolato-κ4 N,N′,O,O′)manganese(III), C16H12Cl5MnN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","615","617","10.1515/ncrs-2021-0016","","","0.71073","MoKα","","0.0919","0.0591","","","0.1165","0.1315","","","","","","1.139","","","","has coordinates","273782","2022-03-18","08:06:50",""
"8104783","10.5707","0.0003","18.5331","0.0005","12.0293","0.0003","90","","114.628","0.001","90","","2142.26","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[di(μ~2~-cyanido)-dicyanido-bis(dimethyl sulfoxide-κ-<i>O</i>)- bis(2,2'-(ethane-1,2-diylbis(azanylylidenemethanylylidene))diphenolato)- dimanganese(III)-platinum(II)]","","- C40 H40 Mn2 N8 O6 Pt S2 -","- C40 H40 Mn2 N8 O6 Pt S2 -","- C80 H80 Mn4 N16 O12 Pt2 S4 -","2","0.5","","Ha, Kwang","Crystal structure of [di(µ2-cyanido)-dicyanido-bis(dimethyl sulfoxide-κO)- bis(2,2′-(ethane-1,2-diylbis(azanylylidenemethanylylidene))diphenolato-κ4,N,N′,O,O′)- dimanganese(III)-platinum(II)], C40H40Mn2N8O6PtS2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","619","621","10.1515/ncrs-2021-0026","","","0.71073","MoKα","","0.017","0.0148","","","0.0361","0.038","","","","","","1.071","","","","has coordinates,has disorder","273783","2022-03-18","08:10:02",""
"8104784","8.0106","0.0004","14.5925","0.0007","21.0425","0.0011","90","","100.33","0.002","90","","2419.9","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Br2 Mn N5 O4 -","- C22 H26 Br2 Mn N5 O4 -","- C88 H104 Br8 Mn4 N20 O16 -","4","1","","Liu, Dian; Ma, Xun","The crystal structure of (azido)-κ1 N-6,6′-((cyclohexane-1,2-diylbis(azanylylidene)) bis(methanylylidene))bis(3-bromophenolato- κ 4 N,N,O,O)-(methanol)-manganese(III)–methanol(1/1), C 22 H 26 Br 2 MnN 5 O 4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","623","625","10.1515/ncrs-2021-0014","","","0.71073","MoKα","","0.0576","0.0372","","","0.0713","0.0766","","","","","","1.031","","","","has coordinates","273784","2022-03-18","08:12:39",""
"8104785","9.5271","0.0019","16.936","0.003","12.012","0.002","90","","105.06","0.03","90","","1871.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-chloro-N-(4-iodinebenzyl)-1,2,3,4- tetrahydroacridin-9-amine","","- C20 H18 Cl I N2 -","- C20 H18 Cl I N2 -","- C80 H72 Cl4 I4 N8 -","4","1","","Juan, Luo; Jia, Gu; Jie, Wang; Li-Hui, Liu; Da-Yong, Peng","Crystal structure of 7-chloro-N-(4-iodobenzyl)-1,2,3,4-tetrahydroacridin-9-amine, C20H18ClIN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","627","629","10.1515/ncrs-2021-0021","","","0.71073","MoKα","","0.0488","0.0436","","","0.1272","0.1396","","","","","","1.081","","","","has coordinates","273785","2022-03-18","08:15:38",""
"8104786","12.033","0.0008","12.0959","0.0008","15.9551","0.0012","85.768","0.003","71.917","0.003","87.899","0.003","2201.3","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-[(1,4,8,11-Tetraazacyclotetradecane-κ^4^<i>N,N',N'',N'''</i>)- bis(μ~2~-thiocyanato-<i>S,N</i>)-bis(thiocyanato-κ<i>S</i>)-nickel(II)- palladium(II)]","","- C14 H24 N8 Ni Pd S4 -","- C14 H24 N8 Ni Pd S4 -","- C56 H96 N32 Ni4 Pd4 S16 -","4","2","","Ha, Kwang","Crystal structure of catena-poly[(1,4,8,11-tetraazacyclotetradecane-κ 4 N,N′,N″,N′′′)-bis(μ 2-thiocyanato-κ2 N:S)-bis(thiocyanato-κS)-nickel(II)palladium(II)], C14H24N8NiPdS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","631","633","10.1515/ncrs-2021-0025","","","0.71073","MoKα","","0.0446","0.0379","","","0.0905","0.0973","","","","","","1.049","","","","has coordinates","273786","2022-03-18","08:18:12",""
"8104787","27.228","0.005","11.38","0.002","9.3775","0.0016","90","","95.733","0.002","90","","2891.1","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-chloro-4-(4-ethylpiperazin-1-yl)aniline","","- C12 H20 Cl N3 O -","- C12 H20 Cl N3 O -","- C96 H160 Cl8 N24 O8 -","8","1","","Gu, Jia; Chen, Jin-Zhu; Nie, Xu-Liang; Huang, Guo-Ping; Huang, Jian-Ping","Crystal structure of 3-chloro-4-(4-ethylpiperazin-1-yl)aniline monohydrate, C12H20ClN3O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","635","637","10.1515/ncrs-2021-0024","","","0.71073","MoKα","","0.0483","0.0372","","","0.0959","0.1058","","","","","","1.036","","","","has coordinates","273787","2022-03-18","08:21:30",""
"8104788","13.4752","0.0004","12.8563","0.0003","15.0144","0.0005","90","","113.429","0.004","90","","2386.66","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Co0.5 N2 O5 -","- C10 H15 Co0.5 N2 O5 -","- C80 H120 Co4 N16 O40 -","8","1","","Sun, Xiao-Tian","Crystal structure of the 2D coordination polymer poly[diaqua-bis(μ2-3- methoxyisonicotinato-κ2 N:O)cobalt(II)] — dimethylformamide (1/1), C20H30CoN4O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","639","641","10.1515/ncrs-2021-0010","","x-ray","0.71073","MoKα","","0.0323","0.0291","","","0.0703","0.0719","","","","","","1.072","","","","has coordinates","273788","2022-03-18","08:24:35",""
"8104789","7.875","0.004","13.165","0.006","13.295","0.006","97.199","0.008","93.065","0.009","95.187","0.008","1359","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Cl N4 O S -","- C12 H13 Cl N4 O S -","- C48 H52 Cl4 N16 O4 S4 -","4","2","","Niu, Mengyuan; Yuan, Caixia","Crystal structure of 4-[(5-chloro-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione, C12H13ClN4OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","643","645","10.1515/ncrs-2021-0020","","","0.71073","MoKα","","0.1302","0.0638","","","0.1567","0.2097","","","","","","0.991","","","","has coordinates","273789","2022-03-18","08:27:29",""
"8104790","15.3543","0.0017","14.7958","0.0017","25.496","0.003","90","","90","","90","","5792.2","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H36 N2 O4 -","- C33 H36 N2 O4 -","- C264 H288 N16 O32 -","8","1","","Xu, Qin-Juan","Crystal structure of N-(5-(2-(benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-hydroxyethyl)-2-(benzyloxy)phenyl)formamide, C33H36N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","647","649","10.1515/ncrs-2021-0012","","","0.71073","MoKα","","0.0745","0.049","","","0.1219","0.1402","","","","","","1.027","","","","has coordinates","273790","2022-03-18","08:29:57",""
"8104791","5.6537","0.0006","7.7954","0.0008","10.6841","0.0009","102.238","0.008","95.381","0.008","90.94","0.009","457.83","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1R,2R,3S,4R)-3-(methoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C9H12O5, C~9~H~12~O~5~","","- C9 H12 O5 -","- C9 H12 O5 -","- C18 H24 O10 -","2","1","","Hou, Xuehui; Wang, Qinglong; Wang, Jianling; Li, Aiqin; Ding, Degang; Lv, Quanjian","Crystal structure of 3-(methoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C9H12O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","651","652","10.1515/ncrs-2021-0027","","x-ray","1.54184","CuKα","","0.0823","0.0673","","","0.2187","0.2279","","","","","","1.081","","","","has coordinates","273791","2022-03-18","08:39:35",""
"8104792","9.5079","0.0019","18.423","0.004","19.018","0.004","90","","90","","90","","3331.3","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","2","","Zhu, Chao; Wang, Wenxiang","The crystal structure of 1-((dimethylamino)(3-nitrophenyl)methyl)naphthalen-2-ol, C19H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","653","655","10.1515/ncrs-2021-0030","","","0.71073","MoKα","","0.1009","0.0555","","","0.1096","0.1275","","","","","","1.132","","","","has coordinates","273792","2022-03-18","08:42:27",""
"8104793","7.5234","0.0002","9.2143","0.0002","9.4188","0.0002","68.9266","0.0007","76.5614","0.0008","85.8639","0.0008","592.54","0.02","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-[di(μ~2~-cyanido)-dicyanido-tetrakis(dimethyl sulfoxide-κ-<i>O</i>)-manganese(II)-platinum(II)]","","- C12 H24 Mn N4 O4 Pt S4 -","- C12 H24 Mn N4 O4 Pt S4 -","- C12 H24 Mn N4 O4 Pt S4 -","1","0.5","","Ha, Kwang","Crystal structure of catena-poly[di(μ 2-cyanido-κ2 C:N)-dicyanido-tetrakis(dimethyl sulfoxide-κO)-manganese(II)-platinum(II)], C12H24MnN4O4PtS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","657","658","10.1515/ncrs-2021-0029","","","0.71073","MoKα","","0.0175","0.0175","","","0.0409","0.0409","","","","","","1.113","","","","has coordinates","273793","2022-03-18","08:45:40",""
"8104794","9.0271","0.0006","10.6578","0.0008","16.3584","0.0011","90.083","0.006","92.278","0.006","103.085","0.006","1531.66","0.19","110.9","0.3","110.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N4 O4 S -","- C14 H18 N4 O4 S -","- C56 H72 N16 O16 S4 -","4","2","","Wang, Ruonan; Heng, Tianyu; Yang, Dezhi; Zhang, Li; Lu, Yang","Crystal structure of 4-amino-N-(2-pyrimidinyl)benzenesulfonamide–1,4-dioxane (1/1), C14H18N4O4S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","659","661","10.1515/ncrs-2021-0032","","","1.54184","CuKα","","0.0479","0.0419","","","0.1138","0.1175","","","","","","1.016","","","","has coordinates","273794","2022-03-18","08:59:28",""
"8104795","8.2034","0.0004","12.7859","0.0007","13.5026","0.0007","66.069","0.005","79.964","0.004","84.465","0.004","1274.18","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl2 Hg N10 -","- C22 H22 Cl2 Hg N10 -","- C44 H44 Cl4 Hg2 N20 -","2","1","","Yang, Hai-Yan; Zhao, Yao-Min; Li, Hui; Wang, Hong-Fang; Li, Ying-Hua; He, Fang","Crystal structure of bis{1-[(benzotriazol-1-yl)methyl]-1H-1,3-(2-methyl-imidazol)}di-chloridomercury(II), [Hg(C11H11N5)2Cl2], C22H22N10Cl2Hg","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","663","665","10.1515/ncrs-2021-0037","","","0.71073","MoKα","","0.05","0.0372","","","0.0621","0.067","","","","","","1.029","","","","has coordinates","273795","2022-03-18","09:03:41",""
"8104796","15.8641","0.0006","11.123","0.0004","13.0925","0.0005","90","","90","","90","","2310.26","0.15","301","2","301","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H25 N O9 -","- C23 H25 N O9 -","- C92 H100 N4 O36 -","4","1","","Zhang, Xianping; Feng, Sisi; Lu, Liping","Crystal structure of 2, 3-bis((4-methylbenzoyl)oxy) succinic acid–N, N-dimethylformamide (1/1), C23H25NO9","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","667","669","10.1515/ncrs-2021-0015","","","0.71073","MoKα","","0.0484","0.0372","","","0.0822","0.0883","","","","","","1.068","","","","has coordinates","273796","2022-03-18","09:12:15",""
"8104797","29.686","0.003","6.2315","0.0004","21.0994","0.0015","90","","114.727","0.008","90","","3545.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Co N4 O10 -","- C40 H28 Co N4 O10 -","- C160 H112 Co4 N16 O40 -","4","0.5","","Xia, Yi-Fan; Peng, Xiong-Xin; Zhong, Yu-Fei; Xiao, Wei; Hu, Chun-Yan; Yuan, Hou-Qun","Crystal structure of catena-poly[bis(4-(4-carboxyphenoxy)benzoato-κ 1 O)-μ 2-(1,4-bis(1-imidazolyl)benzene-κ 2 N:N′)cobalt(II)], C40H28N4O10Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","671","673","10.1515/ncrs-2021-0033","","","0.71073","MoKα","","0.0477","0.0386","","","0.0839","0.0897","","","","","","1.049","","","","has coordinates","273797","2022-03-18","09:21:46",""
"8104798","8.0945","0.0002","15.7091","0.0005","20.6169","0.0006","90","","96.807","0.002","90","","2603.11","0.13","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N3 O8 Sr -","- C8 H13 N3 O8 Sr -","- C64 H104 N24 O64 Sr8 -","8","1","","Dridi, Rawiya; Bouhali, Amira; Boudaren, Chaouki; Bouraiou, Abdelmalek; Merazig, Hocine","Crystal structure of 1H-imidazol-3-ium poly[aqua-(μ4-glutarato-κ6 O,O′:O′:O′′,O′′′:O′′′)-(nitrato-κ2 O,O′)strontium(II)], C8H13N3O8Sr","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","675","677","10.1515/ncrs-2020-0638","","x-ray","0.71073","MoKα","","0.023","0.021","","","0.0486","0.0494","","","","","","1.087","","","","has coordinates","273798","2022-03-18","09:50:25",""
"8104799","7.7862","0.0005","9.0728","0.0006","25.3797","0.0016","90","","90","","90","","1792.9","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N S Si -","- C23 H17 N S Si -","- C92 H68 N4 S4 Si4 -","4","1","","Kong, Yuan-Fang; Mu, De-Long","Crystal structure of (R)-6-(benzo[b]thiophen-5-yl)-2-methyl-2,6-dihydrobenzo [5,6] silino[4,3,2-cd]indole, C23H17NSSi","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","679","681","10.1515/ncrs-2021-0039","","x-ray","0.71073","MoKα","","0.032","0.0301","","","0.0769","0.0778","","","","","","1.065","","","","has coordinates","273799","2022-03-18","09:54:26",""
"8104800","9.6685","0.0004","10.4511","0.0004","11.284","0.0005","100.763","0.002","114.948","0.002","96.816","0.002","990.36","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cd N5 O2 S2 -","- C15 H17 Cd N5 O2 S2 -","- C30 H34 Cd2 N10 O4 S4 -","2","1","","Xu, Qin-Juan","Crystal structure of catena-poly[bis(μ 2-thiocyanato-κ2 N:S)-(2-(5-methyl-1H-pyrazol-3-yl)pyridine-κ2 N,N′)cadmium(II)]–dioxane (1/1), C15H17CdN5O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","683","684","10.1515/ncrs-2021-0019","","","0.71073","MoKα","","0.044","0.0316","","","0.0949","0.1169","","","","","","1.112","","","","has coordinates","273800","2022-03-18","09:59:24",""
"8104801","11.72","0.002","14","0.003","16.971","0.003","90","","90","","90","","2784.6","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H24 Cd N2 O8 -","- C30 H24 Cd N2 O8 -","- C120 H96 Cd4 N8 O32 -","4","0.5","","Yang, Bin; Wang, Ai; Wang, Yan","Crystal structure of poly[aqua-(μ2-1,4-bis(2′-carboxylatophenoxy)benzene-κ2 O:O′)-(μ2-4,4′-bipyridione-κ2 N:N′)cadmium(II)] monhydrate, C30H22CdN2O7⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","685","687","10.1515/ncrs-2021-0036","","","0.71073","MoKα","","0.0701","0.0544","","","0.1506","0.1664","","","","","","1.074","","","","has coordinates","273801","2022-03-18","10:02:43",""
"8104802","9.9506","0.0008","10.1867","0.0011","11.2774","0.0011","110.528","0.009","93.83","0.007","107.307","0.008","1003.17","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N O7 -","- C20 H20 Cd N O7 -","- C40 H40 Cd2 N2 O14 -","2","1","","Chen, Shi-Jun; Cao, Xin; Ma, Xin-Dong; Xi, Zhong-Chen; Li, Shi-Hui","Crystal structure of catena-poly[tetraaqua-(μ2-4,4′-bipyridine-k2 N:N′)-bis(μ2-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-k4 O,O′:O″,O′″)dicadmium(II)] dihydrate, C20H20NO7Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","689","691","10.1515/ncrs-2021-0041","","x-ray","0.71073","MoKα","","0.0964","0.0775","","","0.1874","0.2051","","","","","","1.072","","","","has coordinates","273802","2022-03-18","10:06:11",""
"8104803","11.0576","0.0003","11.8406","0.0003","18.0061","0.0005","90","","90","","90","","2357.51","0.11","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O S -","- C24 H34 N2 O S -","- C96 H136 N8 O4 S4 -","4","1","","Zhao, Benbo; Fu, Kai; Xun, Miao-Miao; Yuan, Changchun","Crystal structure of 1‐tert‐butyl‐3‐(2,6‐diisopropyl‐4‐phenoxyphenyl)‐2-methylisothiourea, C24H34N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","693","695","10.1515/ncrs-2021-0040","","","0.71073","MoKα","","0.0415","0.0334","","","0.0725","0.078","","","","","","1.06","","","","has coordinates","273803","2022-03-18","10:09:37",""
"8104804","14.8071","0.0017","19.676","0.002","10.858","0.0013","90","","104.202","0.002","90","","3066.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Co N8 O8 -","- C28 H34 Co N8 O8 -","- C112 H136 Co4 N32 O32 -","4","1","","Qiu, Ying; Zhao, Juan; Liu, Mei-Ling; Ge, Hong-Guang; Ji, Xiao-Hui; Wang, Qin; Jin, Ling-xia; Lu, Jiu-Fu","Crystal structure of catena-poly[triaqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ1O)cobalt(II)] — N,N′-dimethylformamide (1/1), C28H34N8O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","697","699","10.1515/ncrs-2021-0034","","","0.71073","MoKα","","0.0507","0.0377","","","0.1114","0.1228","","","","","","1.053","","","","has coordinates","273804","2022-03-18","10:13:11",""
"8104805","14.258","0.003","7.1056","0.0013","17.589","0.003","90","","113.672","0.003","90","","1632","0.5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H32 Mn N8 O10 -","- C32 H32 Mn N8 O10 -","- C64 H64 Mn2 N16 O20 -","2","0.5","","Zhou, Jingjing; Xu, Wei; He, Luxiang; Xiao, Hongping","Crystal structure of tetraaqua-bis(1,4-di(1H-imidazol-1-yl)benzene-κ1 N)manganese(II) 2,3-dihydroxyterephthalate, C32H32MnN8O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","701","703","10.1515/ncrs-2021-0042","","","0.71073","MoKα","","0.0374","0.0314","","","0.0976","0.1019","","","","","","1.088","","","","has coordinates","273805","2022-03-18","10:17:10",""
"8104806","4.8274","0.0004","8.0556","0.0007","12.0648","0.001","71.237","0.004","78.739","0.004","72.95","0.004","422.06","0.06","190","2","190","2","","","","","","","","5","P -1","-P 1","2","4-hydroxy-<i>meta</i>-phenylenediamine dihydrochloride","4-hydroxy-<i>meta</i>-phenylenediamine dihydrochloride","","- C6 H10 Cl2 N2 O -","- C6 H10 Cl2 N2 O -","- C12 H20 Cl4 N4 O2 -","2","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","281","283","10.1515/ncrs-2020-0532","","","0.71073","MoKα","","0.0238","0.0225","","","0.0606","0.0614","","","","","","1.085","","","","has coordinates","273806","2022-03-18","10:23:12",""
"8104807","8.7694","0.0005","9.6963","0.0006","14.8577","0.0009","90","","98.266","0.003","90","","1250.24","0.13","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","3-chloropropylammonium chloride","3-chloropropylammonium chloride","","- C3 H9 Cl2 N -","- C3 H9 Cl2 N -","- C24 H72 Cl16 N8 -","8","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","285","286","10.1515/ncrs-2020-0527","","","0.71073","MoKα","","0.0205","0.0193","","","0.0501","0.0511","","","","","","1.072","","","","has coordinates","273807","2022-03-18","10:28:38",""
"8104808","13.2374","0.0012","8.2108","0.0006","14.0114","0.0014","90","","93.294","0.008","90","","1520.4","0.2","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","1-chloro-2-(dimethylamino)ethane hydrochloride","1-chloro-2-(dimethylamino)ethane hydrochloride","","- C4 H11 Cl2 N -","- C4 H11 Cl2 N -","- C32 H88 Cl16 N8 -","8","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","287","289","10.1515/ncrs-2020-0520","","","0.71073","MoKα","","0.0476","0.0398","","","0.1099","0.1174","","","","","","1.075","","","","has coordinates,has disorder","273809","2022-03-18","10:33:13",""
"8104809","4.7889","0.0004","11.7867","0.001","12.5323","0.0011","100.762","0.005","100.232","0.004","100.683","0.004","666.19","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","<i>ortho</i>-trifluoromethyl-hexylanilide","<i>ortho</i>-trifluoromethyl-hexylanilide","","- C13 H16 F3 N O -","- C13 H16 F3 N O -","- C26 H32 F6 N2 O2 -","2","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","291","292","10.1515/ncrs-2020-0530","","","0.71073","MoKα","","0.082","0.0531","","","0.1561","0.176","","","","","","1.054","","","","has coordinates","273810","2022-03-18","10:36:29",""
"8104810","8.9239","0.0005","5.955","0.0003","23.1168","0.0011","90","","90","","90","","1228.47","0.11","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","<i>para</i>-toluidine","<i>para</i>-methylaniline","","- C7 H9 N -","- C7 H9 N -","- C56 H72 N8 -","8","2","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of para-toluidine, C7H9N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","293","295","10.1515/ncrs-2020-0525","","","0.71073","MoKα","","0.0386","0.0367","","","0.1002","0.1019","","","","","","1.083","","","","has coordinates","273811","2022-03-18","10:44:52",""
"8104811","11.1646","0.0007","6.3264","0.0004","18.6926","0.0009","90","","97.5994","0.0018","90","","1308.69","0.13","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(2-methyl-2-ammonium-propane-1,3-diole) carbonate","bis(2-methyl-2-ammonium-propane-1,3-diole) carbonate","","- C9 H24 N2 O7 -","- C9 H24 N2 O7 -","- C36 H96 N8 O28 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","297","299","10.1515/ncrs-2020-0521","","","0.71073","MoKα","","0.0582","0.0385","","","0.0962","0.1057","","","","","","1.033","","","","has coordinates,has disorder","273859","2022-03-21","08:36:44",""
"8104812","6.0087","0.0003","10.1176","0.0006","14.3532","0.0007","90","","90","","90","","872.58","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-chloro-1-methylpiperidine hydrochloride","4-chloro-1-methylpiperidine hydrochloride","","- C6 H13 Cl2 N -","- C6 H13 Cl2 N -","- C24 H52 Cl8 N4 -","4","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","301","303","10.1515/ncrs-2020-0522","","","0.71073","MoKα","","0.0402","0.0304","","","0.0603","0.0632","","","","","","1.035","","","","has coordinates","273860","2022-03-21","08:40:52",""
"8104813","9.914","0.003","10.141","0.003","10.179","0.003","90.177","0.005","112.202","0.005","95.167","0.005","942.9","0.5","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Br N O -","- C23 H16 Br N O -","- C46 H32 Br2 N2 O2 -","2","1","","Pan, Fei; Wei, Xian; Lv, Menglan Lan","Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","305","306","10.1515/ncrs-2020-0533","","","0.71073","MoKα","","0.0797","0.052","","","0.1267","0.1351","","","","","","1.071","","","","has coordinates","273861","2022-03-21","08:47:49",""
"8104814","8.6363","0.0011","9.9144","0.0011","11.8734","0.0015","81.891","0.004","72.889","0.004","80.972","0.003","954.7","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 F2 N O4 -","- C20 H21 F2 N O4 -","- C40 H42 F4 N2 O8 -","2","1","","Shin, Soon Young; Yoo, Miri; Koh, Dongsoo","The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","307","309","10.1515/ncrs-2020-0566","","","0.71073","MoKα","","0.0703","0.0466","","","0.1134","0.1339","","","","","","1.033","","","","has coordinates","273862","2022-03-21","08:50:44",""
"8104815","10.6239","0.0007","10.8034","0.0009","28.959","0.003","90","","99.611","0.002","90","","3277.1","0.5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H32 Br4 N4 O4 -","- C34 H32 Br4 N4 O4 -","- C136 H128 Br16 N16 O16 -","4","1","","Jiao, Liang; Tian, Hui; Wang, Man; Li, Tianyu; Wu, Qiong","Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","311","313","10.1515/ncrs-2020-0547","","","0.71073","MoKα","","0.0492","0.0391","","","0.0878","0.0922","","","","","","1.037","","","","has coordinates","273863","2022-03-21","08:55:37",""
"8104816","7.2155","0.0008","10.7519","0.0008","10.8562","0.0008","107.91","0.007","97.087","0.008","100.409","0.007","773.68","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O6 -","- C15 H17 N3 O6 -","- C30 H34 N6 O12 -","2","1","","Xi-Shi, Tai; Zhen, Ren; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang","The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","315","316","10.1515/ncrs-2020-0534","","x-ray","0.71073","MoKα","","0.0783","0.05","","","0.1048","0.1238","","","","","","1.019","","","","has coordinates","273864","2022-03-21","08:58:48",""
"8104817","32.4137","0.0012","4.6683","0.0002","8.8873","0.0003","90","","90","","90","","1344.8","0.09","150","2","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H10 Br Cl N2 O2 -","- C14 H10 Br Cl N2 O2 -","- C56 H40 Br4 Cl4 N8 O8 -","4","1","","Xu, Xindi; Ma, Xun; Huang, Meifen; Li, Tianyu; Wu, Qiong","Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","317","318","10.1515/ncrs-2020-0539","","","0.71073","MoKα","","0.0277","0.0239","","","0.0594","0.0611","","","","","","1.039","","","","has coordinates","273865","2022-03-21","09:07:36",""
"8104818","16.3126","0.0005","6.9654","0.0002","29.3","0.001","90","","92.726","0.001","90","","3325.41","0.18","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br4 N4 O4 -","- C34 H32 Br4 N4 O4 -","- C136 H128 Br16 N16 O16 -","4","1","","Li, Tianyu; Xu, Xindi; Wang, Man; Wang, Xia; Wu, Qiong","Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","319","321","10.1515/ncrs-2020-0546","","","0.71073","MoKα","","0.0615","0.0349","","","0.0701","0.0799","","","","","","1.053","","","","has coordinates","273866","2022-03-21","09:12:45",""
"8104819","7.2748","0.0003","9.0786","0.0004","12.8613","0.0005","99.458","0.002","100.401","0.002","99.499","0.002","807.35","0.06","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br2 N2 O3 -","- C15 H14 Br2 N2 O3 -","- C30 H28 Br4 N4 O6 -","2","1","","Xu, Xindi; Ma, Xun; Huang, Meifen; Li, Tianyu; Wu, Qiong","Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","323","324","10.1515/ncrs-2020-0540","","","0.71073","MoKα","","0.0347","0.0253","","","0.0639","0.0673","","","","","","1.049","","","","has coordinates","273867","2022-03-21","09:16:05",""
"8104820","9.1258","0.0004","10.6225","0.0005","30.187","0.0014","90","","90","","90","","2926.3","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-bis(2-benzimidazyl)-1,2,-dihydroxyethane 3-(2-benzimidazyl)-2,3-dihydroxy-propane-<i>ortho</i>-amino-anilide co-crystallizate","1,2-bis(2-benzimidazyl)-1,2,-dihydroxyethane 3-(2-benzimidazyl)-2,3-dihydroxy-propane-<i>ortho</i>-amino-anilide co-crystallizate","","- C32 H30 N8 O5 -","- C32 H30 N8 O5 -","- C128 H120 N32 O20 -","4","1","","Clark, Candyce R.; Hosten, Eric C.; Betz, Richard","The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","325","327","10.1515/ncrs-2020-0529","","","0.71073","MoKα","","0.049","0.0367","","","0.0791","0.0837","","","","","","1.032","","","","has coordinates","273868","2022-03-21","09:22:48",""
"8104821","17.7552","0.0012","10.7574","0.0009","8.0207","0.0007","90","","90","","90","","1532","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","<i>para</i>-trifluoromethyl-aniline hemihydrate","<i>para</i>-trifluoromethyl-aniline hemihydrate","","- C14 H14 F6 N2 O -","- C14 H14 F6 N2 O -","- C56 H56 F24 N8 O4 -","4","0.5","","Hosten, Eric C.; Betz, Richard","The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","329","331","10.1515/ncrs-2020-0512","","","0.71073","MoKα","","0.0688","0.0415","","","0.0997","0.1154","","","","","","1.016","","","","has coordinates,has disorder","273869","2022-03-21","09:49:41",""
"8104822","6.0864","0.0004","10.9696","0.0008","8.5928","0.0005","90","","93.36","0.003","90","","572.72","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-amino-2-methyl-propane-1,3-diole","2-amino-2-methyl-propane-1,3-diole","","- C4 H11 N O2 -","- C4 H11 N O2 -","- C16 H44 N4 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","333","334","10.1515/ncrs-2020-0514","","","0.71073","MoKα","","0.0335","0.0307","","","0.0853","0.0891","","","","","","1.039","","","","has coordinates","273885","2022-03-22","08:58:20",""
"8104823","6.811","0.0005","8.8779","0.0007","17.2774","0.0016","90","","97.582","0.004","90","","1035.59","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","methacholine chloride","2-acetyl-1-(trimethylamino)propane chloride","","- C8 H18 Cl N O2 -","- C8 H18 Cl N O2 -","- C32 H72 Cl4 N4 O8 -","4","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of methacholine chloride, C8H18ClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","335","337","10.1515/ncrs-2020-0526","","","0.71073","MoKα","","0.0726","0.0484","","","0.0842","0.0922","","","","","","1.063","","","","has coordinates","273886","2022-03-22","09:01:27",""
"8104824","12.7072","0.0005","11.2947","0.0006","17.7857","0.0007","90","","95.807","0.001","90","","2539.6","0.2","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Tian, Kaixin; Wang, Yanhong; Xun, Miaomiao; Yuan, Changchun; Fu, Kai","Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","339","340","10.1515/ncrs-2020-0598","","","0.71073","MoKα","","0.0877","0.0606","","","0.1563","0.1759","","","","","","1.045","","","","has coordinates","273887","2022-03-22","09:05:34",""
"8104825","7.3758","0.0003","8.7361","0.0004","9.2906","0.0004","112.877","0.004","90.054","0.004","102.568","0.004","535.9","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H8 Ag2 N3 O4 S -","- C7 H8 Ag2 N3 O4 S -","- C14 H16 Ag4 N6 O8 S2 -","2","1","","Zhao, Han-Lin; Jiang, Jin-Ke; Chu, Yu-Tong; Li, Gang-Mei; Li, Xi-Xi; Jin, Xin","Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5 N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2 N:N′)tetrasilver(I)], C7H8Ag2N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","341","342","10.1515/ncrs-2020-0537","","","0.71073","MoKα","","0.0319","0.0235","","","0.0571","0.06","","","","","","1.072","","","","has coordinates","273888","2022-03-22","09:09:55",""
"8104826","11.3541","0.0016","12.1833","0.0017","14.409","0.002","68.24","0.002","76.613","0.003","88.873","0.003","1796","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H45 N5 O5 -","- C38 H45 N5 O5 -","- C76 H90 N10 O10 -","2","1","","Gao, Xiao-Li; Jia, Shu-Shu; Su, Rui","Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","343","345","10.1515/ncrs-2020-0589","","","0.71073","MoKα","","0.123","0.062","","","0.1609","0.2023","","","","","","1.006","","","","has coordinates,has disorder","273889","2022-03-22","09:12:45",""
"8104827","4.8308","0.0002","6.1438","0.0002","23.0836","0.0009","90","","91.0784","0.0014","90","","684.99","0.04","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br2 N2 O2 -","- C14 H7 Br2 N2 O2 -","- C28 H14 Br4 N4 O4 -","2","0.5","","Xu, Xindi; Tian, Hui; Wang, Xia; Wang, Man; Wu, Qiong","Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","347","348","10.1515/ncrs-2020-0586","","","0.71073","MoKα","","0.0528","0.0477","","","0.1087","0.1108","","","","","","1.206","","","","has coordinates","273890","2022-03-22","09:16:28",""
"8104828","9.8213","0.0006","9.9212","0.0006","10.04","0.0006","65.51","0.002","63.539","0.002","84.842","0.002","791.59","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","3,3,3-triphenylpropionic acid","3,3,3-triphenylpropionic acid","","- C21 H18 O2 -","- C21 H18 O2 -","- C42 H36 O4 -","2","1","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","349","351","10.1515/ncrs-2020-0570","","","0.71073","MoKα","","0.0658","0.0463","","","0.0981","0.1101","","","","","","1.058","","","","has coordinates","273891","2022-03-22","09:24:57",""
"8104829","7.0417","0.0004","9.1635","0.0005","27.3371","0.0015","90","","90","","90","","1763.97","0.17","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dextromethorphan hydrobromide monohydrate","(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium bromide monohydrate","","- C18 H28 Br N O2 -","- C18 H28 Br N O2 -","- C72 H112 Br4 N4 O8 -","4","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","353","355","10.1515/ncrs-2020-0528","","","0.71069","MoKα","","0.0366","0.0275","","","0.0574","0.0596","","","","","","1.003","","","","has coordinates","273892","2022-03-22","09:30:13",""
"8104830","7.7111","0.0002","10.9909","0.0003","17.565","0.0004","90","","113.757","0.001","90","","1362.52","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19 Co N12 -","- C7 H19 Co N12 -","- C28 H76 Co4 N48 -","4","1","","Li, Tianyu; Xu, Xindi; Huang, Meifen; Wang, Man; Wu, Qiong","Crystal structure of tris(azido-κ1 N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3 N,N′,N′′)cobalt(III), C7H19CoN12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","357","358","10.1515/ncrs-2020-0544","","","0.71073","MoKα","","0.0312","0.0266","","","0.0691","0.0718","","","","","","1.068","","","","has coordinates","273893","2022-03-22","10:19:07",""
"8104831","6.2751","0.0004","21.7902","0.0013","13.3401","0.0008","90","","90.793","0.001","90","","1823.89","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis-(1H-indazole-6-carboxylate-k N^2^)- cadmium (II), tetrahydrate","","- C16 H18 Cd N4 O8 -","- C16 H18 Cd N4 O8 -","- C64 H72 Cd4 N16 O32 -","4","1","","Lan, Ying-Dong; Xiong, Chun-Lan; Huang, Cui-xin; Xiong, Wan-Ming; Nie, Xu-Liang","Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","359","361","10.1515/ncrs-2020-0581","","","0.71073","MoKα","","0.0292","0.0252","","","0.0586","0.0603","","","","","","1.1","","","","has coordinates","273894","2022-03-22","10:22:34",""
"8104832","9.9915","0.0009","13.0923","0.0012","13.1894","0.0013","90","","98.794","0.002","90","","1705","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 N4 Zn -","- C12 H20 Cl2 N4 Zn -","- C48 H80 Cl8 N16 Zn4 -","4","1","","Yang, Bingchuan; Liu, Gang; Wang, Yong","Crystal structure of dichloride-bis(1-propylimidazole-κ 1 N)zinc(II), C12H20Cl2N4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","363","365","10.1515/ncrs-2020-0588","","","0.71073","MoKα","","0.0783","0.0453","","","0.1115","0.1248","","","","","","1.055","","","","has coordinates","273895","2022-03-22","10:30:03",""
"8104833","4.6315","0.0001","9.4846","0.0003","39.7929","0.0011","90","","90","","90","","1748.02","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O8 -","- C19 H22 O8 -","- C76 H88 O32 -","4","1","","Tang, Qing; Li, Huan-Yong; Wu, Zhong-Nan; Yan, Ming; Zhang, Yu-Bo; Li, Yao-Lan; Wang, Guo-Cai","Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","367","368","10.1515/ncrs-2020-0554","","x-ray","1.54184","CuKα","","0.0343","0.034","","","0.0889","0.0892","","","","","","1.073","","","","has coordinates","273916","2022-03-23","08:22:20",""
"8104834","8.3185","0.0009","21.883","0.002","13.4345","0.0015","90","","103.473","0.001","90","","2378.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3'-(1,2-phenylenebis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V)","","- C18 H20 F12 N4 P2 -","- C18 H20 F12 N4 P2 -","- C72 H80 F48 N16 P8 -","4","1","","Ting, Huang; Jin-Zhu, Chen; Xu-Liang, Nie; Jing, Chen; Wan-Ming, Xiong","Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","369","371","10.1515/ncrs-2020-0555","","","0.71073","MoKα","","0.073","0.047","","","0.1146","0.1305","","","","","","1.022","","","","has coordinates,has disorder","273917","2022-03-23","08:26:21",""
"8104835","12.554","0.003","12.401","0.003","18.718","0.005","90","","107.844","0.003","90","","2773.9","1.2","153","2","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N5 Ni O8 -","- C26 H31 N5 Ni O8 -","- C104 H124 N20 Ni4 O32 -","4","1","","Chen, Yu-Xiao; Luo, Zhong-Ping; Zhang, He; Nie, Feng-Mei","Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3 N,N′,N″]-phthalato-κ1 O-nickel(II)-methanol (1/2), C26H31N5NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","373","375","10.1515/ncrs-2020-0502","","","0.71073","MoKα","","0.06","0.0438","","","0.1098","0.1175","","","","","","0.985","","","","has coordinates","273918","2022-03-23","08:30:14",""
"8104836","9.3018","0.0002","25.1396","0.0007","8.9439","0.0002","90","","102.005","0.003","90","","2045.73","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O? C~10~H~5~F~5~N~2~O~1~","","- C10 H5 F5 N2 O -","- C10 H5 F5 N2 O -","- C80 H40 F40 N16 O8 -","8","2","","Mi, Xia; Hou, Xuehui; Cui, Beibei","Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","377","378","10.1515/ncrs-2020-0553","","x-ray","1.54184","CuKα","","0.0652","0.0458","","","0.1171","0.1345","","","","","","1.045","","","","has coordinates","273919","2022-03-23","08:42:08",""
"8104837","9.513","0.003","9.546","0.003","30.956","0.01","90","","101.228","0.009","90","","2757.3","1.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl2 N6 Zn -","- C24 H34 Cl2 N6 Zn -","- C96 H136 Cl8 N24 Zn4 -","4","1","","Liu, Xiao-jing; Liu, E.; Jin, Ze-shen; Li, Zhuang-yu; Jian, Fang-fang; Liang, Tong-ling","Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1 N)zinc(II), C24H34N6Cl2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","379","381","10.1515/ncrs-2020-0535","","","0.71073","MoKα","","0.0714","0.0452","","","0.117","0.1299","","","","","","1.0388","","","","has coordinates,has disorder","273920","2022-03-23","08:47:05",""
"8104838","4.7061","0.0003","10.4639","0.0006","13.5675","0.0008","90","","97.512","0.002","90","","662.39","0.07","190","","189.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 B Br N2 -","- C16 H12 B Br N2 -","- C32 H24 B2 Br2 N4 -","2","1","","Ding, Siyi; Zhu, Min; Miao, Zong-Cheng","The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","383","384","10.1515/ncrs-2020-0556","","","1.34139","GaKα","","0.0385","0.0384","","","0.0994","0.0995","","","","","","1.085","","","","has coordinates","273921","2022-03-23","08:50:38",""
"8104839","8.0755","0.0007","19.7663","0.0019","10.1987","0.0009","90","","95.94","0.002","90","","1619.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F N O2 -","- C20 H18 F N O2 -","- C80 H72 F4 N4 O8 -","4","1","","Shao, Han-Qiao; Lu, Yuan-Ming; Lin, Qi-Wei; Wang, Yu-Cai; Xie, Yue-Sheng","Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","385","386","10.1515/ncrs-2020-0552","","","0.71073","MoKα","","0.0563","0.0465","","","0.1141","0.1188","","","","","","1.075","","","","has coordinates","273922","2022-03-23","09:19:18",""
"8104840","7.395","0.0005","8.6697","0.0005","11.6813","0.0009","85.457","0.006","76.712","0.006","82.759","0.005","722.07","0.09","99.9","0.3","99.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Luan, Ming-Zhu; Meng, Qing-Guo","Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","387","389","10.1515/ncrs-2020-0602","","","0.71073","MoKα","","0.061","0.0502","","","0.1218","0.1342","","","","","","1.053","","","","has coordinates","273923","2022-03-23","09:22:38",""
"8104841","11.0944","0.0004","18.2945","0.0009","11.9283","0.0005","90","","114.33","0.0012","90","","2206.03","0.16","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl2 Mn N2 O8 -","- C22 H24 Cl2 Mn N2 O8 -","- C88 H96 Cl8 Mn4 N8 O32 -","4","0.5","","Xu, Xindi; Wang, Xia; Tian, Hui; Wang, Man; Wu, Qiong","Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3 N,O,O’)manganese(IV), C22H24Cl2MnN2O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","391","392","10.1515/ncrs-2020-0599","","","0.71073","MoKα","","0.0429","0.0305","","","0.0716","0.0791","","","","","","1.067","","","","has coordinates","273924","2022-03-23","09:28:51",""
"8104842","27.1122","0.0008","6.4295","0.0002","14.7495","0.0004","90","","91.707","0.001","90","","2569.96","0.13","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","α-(<i>meta</i>-methoxyphenoxyl)-<i>ortho</i>-tolylic acid","α-(<i>meta</i>-methoxyphenoxyl)-<i>ortho</i>-tolylic acid","","- C15 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","393","395","10.1515/ncrs-2020-0576","","","0.71073","MoKα","","0.0473","0.0387","","","0.1005","0.1091","","","","","","1.041","","","","has coordinates","273925","2022-03-23","09:32:59",""
"8104843","6.9579","0.0004","8.1852","0.0005","8.7912","0.0005","66.606","0.002","86.105","0.003","89.834","0.002","458.3","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>-(2-chloroethyl)-<i>N,N</i>-diethylammonium chloride","<i>N</i>-(2-chloroethyl)-<i>N,N</i>-diethylammonium chloride","","- C6 H15 Cl2 N -","- C6 H15 Cl2 N -","- C12 H30 Cl4 N2 -","2","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","397","399","10.1515/ncrs-2020-0562","","","0.71069","MoKα","","0.024","0.0226","","","0.0589","0.0599","","","","","","1.062","","","","has coordinates","273926","2022-03-23","09:36:19",""
"8104844","11.3803","0.0003","14.0832","0.0004","16.2352","0.0007","91.784","0.003","104.264","0.003","107.112","0.002","2395.05","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H54 N6 O28 V10 -","- C27 H54 N6 O28 V10 -","- C54 H108 N12 O56 V20 -","2","1","","Huo, Yueyang; He, Qingpeng; Wang, Yong","The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","401","404","10.1515/ncrs-2020-0580","","","0.71073","MoKα","","0.0404","0.0291","","","0.0736","0.081","","","","","","1.021","","","","has coordinates","273927","2022-03-23","10:04:42",""
"8104845","9.0752","0.0019","9.542","0.002","16.049","0.003","99.088","0.004","94.422","0.004","107.146","0.004","1300","0.5","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 Cl N2 O4 -","- C23 H39 Cl N2 O4 -","- C46 H78 Cl2 N4 O8 -","2","1","","Liu, Xiao-jing; Li, Zhuang-yu; Liu, E; Jian, Fang-fang; Liang, Tong-ling","Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","405","407","10.1515/ncrs-2020-0421","","","0.71073","MoKα","","0.1429","0.0646","","","0.1854","0.2298","","","","","","1.034","","","","has coordinates,has disorder","273928","2022-03-23","10:12:15",""
"8104846","24.665","0.004","18.836","0.003","25.425","0.006","90","","114.364","0.004","90","","10760","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N8 O4 Zr -","- C56 H60 N8 O4 Zr -","- C448 H480 N64 O32 Zr8 -","8","1","","Duan, Xin-E.; Wang, Yu-Hang; Bai, Sheng-Di; Tong, Hong-Bo; Liu, Bin-Shen","Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2 N,N′)] zirconium(IV), C56H60N8O4Zr","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","409","412","10.1515/ncrs-2020-0571","","","0.71073","MoKα","","0.1501","0.055","","","0.0977","0.1239","","","","","","0.994","","","","has coordinates","273929","2022-03-23","10:15:16",""
"8104847","5.7613","0.0004","12.3545","0.0007","13.3427","0.0008","110.002","0.002","98.837","0.002","94.263","0.002","873.56","0.1","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C44 H30 N6 O4 -","2","1","","Li, Jin; Zuo, Zhenyu; Chen, Yan; Liu, Yali; Yin, Dachuan","The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","413","415","10.1515/ncrs-2020-0583","","","1.54178","CuKα","","0.0702","0.0471","","","0.1291","0.1376","","","","","","1.087","","","","has coordinates","273930","2022-03-23","10:17:59",""
"8104848","8.8018","0.0001","10.9658","0.0001","16.9136","0.0001","90","","90","","90","","1632.48","0.03","100","2","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","trimethylsulfonium tris((trifluoromethyl)sulfonyl)methanide","","- C7 H9 F9 O6 S4 -","- C7 H9 F9 O6 S4 -","- C28 H36 F36 O24 S16 -","4","1","","Wirthensohn, Raphael; Finze, Maik","The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","417","419","10.1515/ncrs-2020-0612","","x-ray","1.54184","CuKα","","0.0222","0.0222","","","0.0604","0.0604","","","","","","1.085","","","","has coordinates","273931","2022-03-23","10:23:48",""
"8104849","7.4135","0.0004","13.3008","0.0008","16.9956","0.0007","90","","104.445","0.002","90","","1622.88","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br Cl2 N2 O3 -","- C15 H13 Br Cl2 N2 O3 -","- C60 H52 Br4 Cl8 N8 O12 -","4","1","","Xu, Xindi; Huang, Meifen; Wang, Man; Li, Tianyu; Wu, Qiong","Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","421","423","10.1515/ncrs-2020-0597","","","0.71073","MoKα","","0.06","0.038","","","0.0909","0.1031","","","","","","1.036","","","","has coordinates","273932","2022-03-23","10:26:26",""
"8104850","14.9517","0.0009","5.4857","0.0003","27.9582","0.0017","90","","102.434","0.006","90","","2239.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br2 F N3 S -","- C24 H16 Br2 F N3 S -","- C96 H64 Br8 F4 N12 S4 -","4","1","","Baashen, Mohammed A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","425","427","10.1515/ncrs-2020-0605","","","0.71073","MoKα","","0.0969","0.0444","","","0.1003","0.1237","","","","","","1.013","","","","has coordinates","273964","2022-03-25","07:36:17",""
"8104851","6.4855","0.0004","20.111","0.0012","11.2575","0.0007","90","","92.014","0.002","90","","1467.41","0.16","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(Adamantan-1-yl)-piperidine-1-carbothioamide","","","- C16 H26 N2 S -","- C16 H26 N2 S -","- C64 H104 N8 S4 -","4","1","","Bari, Ahmed; Hosten, Eric C.; Abdulrahman, AlObaid; Usman, Ghani","The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","429","430","10.1515/ncrs-2020-0609","","","0.71073","MoKα","","0.0386","0.0324","","","0.0844","0.0889","","","","","","1.044","","","","has coordinates","273965","2022-03-25","07:38:22",""
"8104852","9.3725","0.0006","20.0436","0.0012","15.3281","0.0011","90","","102.896","0.006","90","","2806.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Br4 N5 O4 S -","- C25 H17 Br4 N5 O4 S -","- C100 H68 Br16 N20 O16 S4 -","4","1","","Baashen, Mohammed A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","431","433","10.1515/ncrs-2020-0607","","","0.71073","MoKα","","0.1046","0.0575","","","0.1324","0.1566","","","","","","1.04","","","","has coordinates","273966","2022-03-25","07:42:24",""
"8104853","9.1794","0.0003","11.5706","0.0005","12.3976","0.0005","85.291","0.002","72.198","0.002","74.084","0.002","1205.65","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","benzeneseleninic acid anhydride","benzeneseleninic acid anhydride","","- C12 H10 O3 Se2 -","- C12 H10 O3 Se2 -","- C48 H40 O12 Se8 -","4","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","435","437","10.1515/ncrs-2020-0560","","","0.71073","MoKα","","0.05","0.0275","","","0.0613","0.0698","","","","","","1.062","","","","has coordinates","273967","2022-03-25","07:46:23",""
"8104854","5.6693","0.0002","20.2385","0.0007","14.3908","0.0005","90","","100.383","0.001","90","","1624.14","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diphenylammonium chloride antimony trichloride","","- C12 H12 Cl4 N Sb -","- C12 H12 Cl4 N Sb -","- C48 H48 Cl16 N4 Sb4 -","4","1","","Averdunk, Arthur; Hosten, Eric C.; Betz, Richard","The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","439","441","10.1515/ncrs-2020-0503","","","0.71069","MoKα","","0.0226","0.0192","","","0.0415","0.043","","","","","","1.097","","","","has coordinates","273968","2022-03-25","07:49:33",""
"8104855","4.7019","0.0006","6.47","0.0009","25.283","0.004","90","","90","","90","","769.14","0.19","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>para</i>-nitrobenzylbromide","<i>para</i>-nitrobenzylbromide","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","443","445","10.1515/ncrs-2020-0564","","","0.71073","MoKα","","0.0382","0.0294","","","0.0649","0.0671","","","","","","0.996","","","","has coordinates","273969","2022-03-25","07:52:13",""
"8104856","8.0106","0.0017","29.957","0.006","12.05","0.003","90","","95.025","0.004","90","","2880.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N3 O6 V2 Zn -","- C10 H9 N3 O6 V2 Zn -","- C80 H72 N24 O48 V16 Zn8 -","8","1","","Yang, Bingchuan; Lv, Xueyan; Liu, Gang; Liu, Rutao","Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2 N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","447","449","10.1515/ncrs-2020-0604","","","0.71073","MoKα","","0.0896","0.0512","","","0.1372","0.1975","","","","","","1.061","","","","has coordinates","273970","2022-03-25","07:56:24",""
"8104857","7.8762","0.0012","21.33","0.003","13.181","0.002","90","","99.536","0.002","90","","2183.8","0.6","103","2","103.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Ce N7 O10 -","- C15 H16 Ce N7 O10 -","- C60 H64 Ce4 N28 O40 -","4","1","","Bai, Wen-Jing; Jia, Mei-Ye; Nie, Feng-Mei","Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ 5 N,N′,N′′,N′′′,O]-tris(nitrato-κ 2 O,O′) cerium(III), C15H16CeN7O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","451","453","10.1515/ncrs-2020-0606","","","0.71073","MoKα","","0.0323","0.0285","","","0.0507","0.0523","","","","","","1.067","","","","has coordinates","273971","2022-03-25","08:00:03",""
"8104858","11.576","0.002","12.407","0.003","17.582","0.003","90","","100.76","0.03","90","","2480.8","0.9","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C16 H48 Br5 Cu4 Gd O8 S12 W -","- C16 H48 Br5 Cu4 Gd O8 S12 W -","- C32 H96 Br10 Cu8 Gd2 O16 S24 W2 -","2","1","","Ye, Yunfeng; Tang, Guodong; Qian, Jun","Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1 O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","455","457","10.1515/ncrs-2020-0591","","","0.71073","MoKα","","0.0519","0.0446","","","0.1148","0.1169","","","","","","1.039","","","","has coordinates","273972","2022-03-25","08:03:21",""
"8104859","10.0076","0.0005","18.6516","0.001","19.0893","0.0018","90","","108.532","0.006","90","","3378.4","0.4","111.9","0.1","111.9","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 N7 Ni O8 -","- C32 H41 N7 Ni O8 -","- C128 H164 N28 Ni4 O32 -","4","1","","Qiao, Tian-Xu; Chen, Yu-Xiao; An, Jing-Yi; Nie, Feng-Mei","Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ 4 N,N′,N′′,N′′′}-(succinato-κ 2 O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","459","461","10.1515/ncrs-2020-0608","","x-ray","0.71073","MoKα","","0.0921","0.0607","","","0.1176","0.134","","","","","","1.028","","","","has coordinates,has disorder","273973","2022-03-25","08:06:53",""
"8104860","9.2801","0.001","11.6017","0.0011","16.4968","0.0015","96.294","0.008","96.371","0.008","105.025","0.009","1687","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Co N18 O12 -","- C72 H68 Co N18 O12 -","- C72 H68 Co N18 O12 -","1","0.5","","Li, Huixing; Han, Xinlong; Cao, Bin","Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","463","465","10.1515/ncrs-2020-0572","","","0.71073","MoKα","","0.1283","0.0631","","","0.0839","0.1043","","","","","","1.03","","","","has coordinates,has disorder","273974","2022-03-25","08:14:03",""
"8104861","15.0005","0.0007","15.9478","0.0008","18.4438","0.001","90","","90","","90","","4412.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H52 O14 Ti2 -","- C44 H52 O14 Ti2 -","- C176 H208 O56 Ti8 -","4","0.5","","Youzhu, Yu; Yuhua, Guo; Yongsheng, Niu; Nana, Liu; Hongfei, Zhang","Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3 O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","467","469","10.1515/ncrs-2020-0590","","","0.71073","MoKα","","0.048","0.0372","","","0.0989","0.1089","","","","","","1.049","","","","has coordinates,has disorder","273975","2022-03-25","08:17:16",""
"8104862","7.4709","0.0004","14.2051","0.0009","7.3198","0.0004","90","","97.096","0.004","90","","770.86","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-hydroxymethyl-imidazole-4,5-dicarboxylic acid monohydrate","2-hydroxymethyl-imidazole-4,5-dicarboxylic acid monohydrate","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C24 H32 N8 O24 -","4","1","","Clark, Candyce R.; Hosten, Eric C.; Betz, Richard","The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","471","473","10.1515/ncrs-2020-0593","","","0.71073","MoKα","","0.0463","0.0346","","","0.0877","0.0946","","","","","","1.013","","","","has coordinates","273976","2022-03-25","08:20:22",""
"8104863","17.0332","0.0005","4.3407","0.0001","21.9732","0.0005","90","","109.691","0.001","90","","1529.61","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dibromo-4-fluoroaniline","2,6-dibromo-4-fluoroaniline","","- C6 H4 Br2 F N -","- C6 H4 Br2 F N -","- C48 H32 Br16 F8 N8 -","8","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","475","477","10.1515/ncrs-2020-0557","","","0.71073","MoKα","","0.0409","0.0256","","","0.0482","0.0518","","","","","","1.005","","","","has coordinates","273977","2022-03-25","08:23:54",""
"8104864","19.328","0.004","7.1086","0.0012","11.627","0.002","90","","99.417","0.009","90","","1576","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>para</i>-chlorobenz-<i>ortho</i>-phenoxyanilide","<i>para</i>-chlorobenz-<i>ortho</i>-phenoxyanilide","","- C19 H14 Cl N O2 -","- C19 H14 Cl N O2 -","- C76 H56 Cl4 N4 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","479","481","10.1515/ncrs-2020-0567","","","0.71073","MoKα","","0.0771","0.0582","","","0.1451","0.1615","","","","","","1.062","","","","has coordinates","273978","2022-03-25","08:26:50",""
"8104865","5.0743","0.0005","14.0545","0.0013","13.3319","0.0017","90","","91.102","0.005","90","","950.61","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-methyl-β-naphthothiazole","2-methyl-β-naphthothiazole","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","483","485","10.1515/ncrs-2020-0563","","","0.71073","MoKα","","0.042","0.0322","","","0.0845","0.0908","","","","","","1.031","","","","has coordinates","273979","2022-03-25","08:30:07",""
"8104866","29.4307","0.0004","15.42797","0.00017","18.4667","0.0002","90","","104.465","0.0012","90","","8119.11","0.17","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H46.234 O3.167 -","- C30 H46 O3 -","- C360 H552 O36 -","12","3","","Wang, Xiao-Hui; Wang, Hui-yun; Wang, Jia-Zhen; Zhang, Mei; Chen, Xiao-Qian; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of 3-oxo-urs-12-en-28-oic acid, C30H46O3·1/6H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","1","5","10.1515/ncrs-2020-0423","","x-ray","1.54184","CuKα","","0.0485","0.0432","","","0.1135","0.1197","","","","","","1.023","","","","has coordinates","273980","2022-03-25","08:34:34",""
"8104867","8.17152","0.00014","17.6728","0.0003","23.1916","0.0005","90","","90","","90","","3349.18","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H58 O6.5 -","- C34 H56 O6 -","- C136 H224 O24 -","4","1","","Zhao, Ruo-Lin; Wang, Hui-Yun; Wang, Xiao-Hui; Luan, Ming-Zhu; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (3S,12R,20R,24R)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25–triol–ethyl acetate (4/1), C34H56O6⋅ 0.25(C4H8O2)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","7","9","10.1515/ncrs-2020-0462","","","1.54184","CuKα","","0.047","0.0416","","","0.1088","0.1143","","","","","","1.023","","","","has coordinates","273981","2022-03-25","08:38:43",""
"8104868","9.0313","0.0009","9.6075","0.0014","15.3044","0.0015","89.933","0.002","78.579","0.001","68.878","0.001","1210.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 N4 O16 S4 Zn2 -","- C8 H32 N4 O16 S4 Zn2 -","- C16 H64 N8 O32 S8 Zn4 -","2","1","","Meng, Gaoxiang; Li, Zhou; Yang, Yongming","A new polymorph of tetrakis(dimethylammonium) catena-poly[tetrakis(μ 2-sulfato-κ 2 O:O′)dizinc(II)], Zn2C8H32N4O16S4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","11","13","10.1515/ncrs-2020-0441","","","0.71073","MoKα","","0.0377","0.0323","","","0.1005","0.1043","","","","","","1.066","","","","has coordinates","273982","2022-03-25","08:43:16",""
"8104869","5.2759","0.0001","10.3482","0.0003","23.5372","0.0006","90","","90","","90","","1285.04","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Yan, Ming; Li, Huan-Yong; Luo, Ding; Chen, Si; Zhang, Yu-Bo; Li, Yao-Lan; Wang, Guo-Cai","Crystal structure of 10-oxysophoridine, C15H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","15","16","10.1515/ncrs-2020-0469","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0836","0.0852","","","","","","1.087","","","","has coordinates","273983","2022-03-25","08:46:27",""
"8104870","12.34133","0.00014","16.50759","0.00015","26.8804","0.0002","90","","90","","90","","5476.23","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C240 H384 O32 -","8","2","","Sun, Ke-wei; Wang, Hui-yun; Ma, Guang-qun; Luo, Qin; Wang, Yun-Hui; Meng, Qing-Guo","The crystal structure of (5R,8R,9R,10R,12R,13R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)tetradecahydro-3H-cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","17","20","10.1515/ncrs-2020-0459","","x-ray","1.54184","CuKα","","0.0507","0.0422","","","0.0899","0.099","","","","","","1.065","","","","has coordinates","273984","2022-03-25","09:43:22",""
"8104871","7.5621","0.0002","8.6787","0.0003","9.8951","0.0003","110.418","0.001","97.681","0.001","108.843","0.001","553.33","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C30 H22 S2 -","1","0.5","","Jing, Nie; Jian-Hua, Wei; Zhong-Hai, Ni","Synthesis, crystal structure and optical property of 1,6-bis(p-tolylthio)pyrene, C30H22S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","21","23","10.1515/ncrs-2020-0466","","","0.71073","MoKα","","0.0477","0.0413","","","0.1115","0.116","","","","","","1.032","","","","has coordinates","273985","2022-03-25","09:47:18",""
"8104872","21.1781","0.0019","14.4198","0.0013","24.543","0.002","90","","90","","90","","7495","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H64 N18 O30 V10 -","- C60 H64 N18 O30 V10 -","- C240 H256 N72 O120 V40 -","4","0.5","","Cui, Chuansheng; Liu, Sen; Zhao, Wenli","The crystal structure of hexakis(2-(pyridin-2-ylamino)pyridin-1-ium) decavanadate(V) dihydrate, C60H64N18O30V10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","25","27","10.1515/ncrs-2020-0465","","","0.71073","MoKα","","0.1042","0.0538","","","0.1278","0.1482","","","","","","0.935","","","","has coordinates","273986","2022-03-25","09:50:30",""
"8104873","12.457","0.003","22.806","0.008","7.398","0.002","90","","90","","90","","2101.7","1.1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H20 Cl4 N2 O Zr -","- C18 H20 Cl4 N2 O Zr -","- C72 H80 Cl16 N8 O4 Zr4 -","4","0.5","","Bonitatibus, Peter J.; Reiss, Guido J.","Preparation and crystal structure of a cationic olefin polymerization precatalyst: (1,7-bis(2,6–dichlorophenyl)-1,7-di-aza-4-oxo-heptan-1,4,7-triyl)dimethyl zirconium(IV), C18H20Cl4N2OZr","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","29","32","10.1515/ncrs-2020-0464","","","0.71073","MoKα","","0.0395","0.0291","","","0.0641","0.0685","","","","","","1.06","","","","has coordinates","273987","2022-03-25","09:53:53",""
"8104874","9.8409","0.0006","14.0933","0.0009","13.9153","0.0009","90","","90.558","0.002","90","","1929.8","0.2","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N5 O6 Re -","- C18 H16 N5 O6 Re -","- C72 H64 N20 O24 Re4 -","4","1","","Moremi, Mamolatelo J.; Alexander, Orbett T.; Vatsha, Banele; Makgopa, Katlego; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl(4,4-dimethyl-2,2-dipyridyl-κ2 N,N′)- (pyrazole-κN)rhenium(I) nitrate, C18H16O3N4Re","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","33","35","10.1515/ncrs-2020-0458","","","0.71073","MoKα","","0.034","0.0266","","","0.0566","0.0584","","","","","","1.05","","","","has coordinates","273988","2022-03-25","09:59:07",""
"8104875","7.2407","0.0003","9.7565","0.0004","21.1814","0.001","90","","93.913","0.002","90","","1492.85","0.11","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Hexaaquacopper(II) dihydrogen pyromellitate","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C40 H64 Cu4 O56 -","4","0.5","","Oguntade, Bukunola K.; Hulushe, Siya T.; Hosten, Eric C.; Watkins, Gareth M.","Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C10H16O14Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","37","38","10.1515/ncrs-2020-0454","","","0.71073","MoKα","","0.0214","0.0198","","","0.0504","0.0509","","","","","","1.065","","","","has coordinates","273990","2022-03-25","10:02:54",""
"8104876","11.6608","0.001","14.8098","0.0015","15.9975","0.0016","90","","90","","90","","2762.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","","Wang, Xiao-Hui; Wang, Hui-yun; Zhang, Sheng-Nan; Song, Jia; Liang, Lun-Hai; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (8R,10R,12R,14R)- 12-hydroxy-16-(5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)- 4,4,8,10,14-pentamethyltetradecahydro-3H- cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","39","42","10.1515/ncrs-2020-0453","","","1.54178","CuKα","","0.1265","0.0586","","","0.1201","0.158","","","","","","0.903","","","","has coordinates","273991","2022-03-25","10:05:57",""
"8104877","11.7324","0.0005","7.4663","0.0003","17.2211","0.0008","90","","104.89","0.001","90","","1457.87","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Br0.5 Cl0.5 N O2 -","- C17 H14 Br0.5 Cl0.5 N O2 -","- C68 H56 Br2 Cl2 N4 O8 -","4","1","","Geng, Yi-Ding; Gong, Yi-Xia","Structure of the mixed crystal (S)-(6-(bromo/chloro)-2-methoxy-2,6-dihydroquinolin-3-yl)(phenyl)methanol, C17H14Br0.5Cl0.5NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","43","44","10.1515/ncrs-2020-0447","","","0.71073","MoKα","","0.0507","0.0334","","","0.0641","0.0693","","","","","","0.997","","","","has coordinates","273992","2022-03-25","10:09:16",""
"8104878","4.8272","0.0007","15.828","0.002","14.3688","0.0019","90","","95.312","0.013","90","","1093.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Mn O12 -","- C20 H26 Mn O12 -","- C40 H52 Mn2 O24 -","2","0.5","","Jie, Yin; Feng-Jun, Zhang; Xi-Shi, Tai","The crystal structure of trans-tetraaqua-bis(4-acetylphenoxyacetato-κ1 O)manganese(II), C20H26O12Mn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","45","46","10.1515/ncrs-2020-0467","","x-ray","0.71073","MoKα","","0.0413","0.0344","","","0.0738","0.0789","","","","","","1.03","","","","has coordinates","273993","2022-03-25","10:12:32",""
"8104879","8.1539","0.0007","8.8584","0.0006","11.8025","0.0009","73.186","0.007","76.184","0.007","69.512","0.007","755.39","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 F4 O2 -","- C19 H14 F4 O2 -","- C38 H28 F8 O4 -","2","1","","Zhang, Xiao-Fan; Wang, Hui-yun; Zhao, Sheng-Nan; Zhang, Sheng-Nan; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","47","49","10.1515/ncrs-2020-0448","","","0.71073","MoKα","","0.0572","0.0436","","","0.0867","0.0965","","","","","","1.011","","","","has coordinates","273994","2022-03-25","10:15:26",""
"8104880","29.554","0.004","7.493","0.0011","8.28","0.001","90","","90","","90","","1833.6","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","DL-α-(Methylaminomethyl)benzyl alcohol","DL-α-(Methylaminomethyl)benzyl alcohol","","- C9 H13 N O -","- C9 H13 N O -","- C72 H104 N8 O8 -","8","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","51","53","10.1515/ncrs-2020-0433","","","0.71069","MoKα","","0.0994","0.0737","","","0.1542","0.1646","","","","","","1.117","","","","has coordinates","273995","2022-03-25","10:18:04",""
"8104881","29.98","0.007","8.4695","0.0017","20.719","0.004","90","","128.124","0.007","90","","4138.6","1.6","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dipentaerthritol hexanitrate","","- C10 H16 N6 O19 -","- C10 H16 N6 O19 -","- C80 H128 N48 O152 -","8","1","","Zheng, Yue; Lizhen, Chen; Hui, Chao; Chenglong, Wei; Zhihua, Li; Duanlin, Cao","The crystal structure of dipentaerthritol hexanitrate, C10H16N6O19","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","55","56","10.1515/ncrs-2020-0443","","x-ray","0.71073","MoKα","","0.1176","0.0587","","","0.0587","0.1683","","","","","","1.058","","","","has coordinates","273996","2022-03-25","10:20:37",""
"8104882","23.801","0.004","6.051","0.0013","7.2677","0.0014","90","","90","","90","","1046.7","0.3","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","<i>N,N</i>-Diphenylformamide","<i>N,N</i>-Diphenylformamide","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of N,N-diphenylformamide, C13H11NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","57","59","10.1515/ncrs-2020-0430","","","0.71073","MoKα","","0.0407","0.0335","","","0.0804","0.0896","","","","","","1.095","","","","has coordinates","273997","2022-03-25","10:23:30",""
"8104883","14.791","0.002","8.5303","0.0009","15.531","0.003","90","","115.474","0.019","90","","1769.1","0.5","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F6 O2 -","- C20 H14 F6 O2 -","- C80 H56 F24 O8 -","4","1","","Luan, Ming-Zhu; Wang, Hui-yun; Zhang, Mei; Song, Jia; Hou, Gui-Ge; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-2-(3,5-bis(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen- 1(2H)-one, C20H14F6O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","61","63","10.1515/ncrs-2020-0446","","","0.71073","MoKα","","0.0901","0.0574","","","0.1253","0.1451","","","","","","1.043","","","","has coordinates,has disorder","273998","2022-03-25","10:26:24",""
"8104884","10.9521","0.0005","10.9521","0.0005","23.3014","0.0017","90","","90","","90","","2795","0.3","200","2","200","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","<i>ortho</i>-anisaldehyde","2-methoyx benzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C128 H128 O32 -","16","2","","Maritz, Marius; Hosten, Eric C.; Betz, Richard","Crystal structure of ortho-methoxy benzaldehyde, C8H8O2 – a second polymorph and deposition of 3D coordinates","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","65","67","10.1515/ncrs-2020-0427","","","0.71073","MoKα","","0.0357","0.0317","","","0.0847","0.0883","","","","","","1.058","","","","has coordinates","273999","2022-03-25","10:29:59",""
"8104885","8.8682","0.0003","22.1328","0.0008","27.9848","0.001","90","","96.71","0.001","90","","5455.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H79 O11 Y -","- C51 H79 O11 Y -","- C204 H316 O44 Y4 -","4","1","","Zhong, Ke-Xiang; Zhang, Rong-Gui; Li, Lai-Chao; Zhao, De-Sen; Wang, Yan-Liang","Crystal structure of catena-poly[diaqua-bis(μ2-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2 O:O')-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2 O,O')yttrium(III)], C51H79O11Y","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","69","72","10.1515/ncrs-2020-0424","","","0.71073","MoKα","","0.1039","0.0495","","","0.1052","0.1275","","","","","","0.999","","","","has coordinates","274000","2022-03-25","10:33:25",""
"8104886","11.3126","0.0006","8.3567","0.0004","20.413","0.0011","90","","90","","90","","1929.76","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","benzylthiouronium chloride","benzylthiouronium chloride","","- C8 H11 Cl N2 S -","- C8 H11 Cl N2 S -","- C64 H88 Cl8 N16 S8 -","8","1","","Maritz, Marius; Hosten, Eric C.; Betz, Richard","Crystal structure of benzylthiouronium chloride, C8H11ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","73","75","10.1515/ncrs-2020-0429","","","0.71073","MoKα","","0.0301","0.024","","","0.0636","0.068","","","","","","1.023","","","","has coordinates","274022","2022-03-28","07:20:49",""
"8104887","11.4608","0.0005","12.1489","0.0005","23.1684","0.0007","90","","90","","90","","3225.9","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Cl N3 O7 -","- C36 H32 Cl N3 O7 -","- C144 H128 Cl4 N12 O28 -","4","1","","Li, Wu-Wu; Gu, Yuan-Zi; Cao, Lei","Synthesis and crystal structure of tert-butyl (2′R,3R,3′R,4a′R,9a′S)-1-acetyl-5-chloro-3″-methyl-2,5″,9′-trioxo-1″-phenyl-1″,4a′,5″,9a′-tetrahydro-1′H,3′H,9′H-dispiro[indoline-3,4′-xanthene-2′,4″-pyrazole]-3′-carboxylate, C36H32ClN3O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","77","80","10.1515/ncrs-2020-0408","","","1.54184","CuKα","","0.069","0.0588","","","0.1469","0.1546","","","","","","1.063","","","","has coordinates","274023","2022-03-28","07:34:03",""
"8104888","6.3037","0.0003","33.102","0.002","7.0471","0.0004","90","","102.105","0.003","90","","1437.79","0.14","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-hydroxy-4-methoxy benzaldehyde","2-hydroxy-4-methoxy benzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","","Ndima, Lubabalo; Hosten, Eric C.; Betz, Richard","Crystal structure of 2-hydroxy-4-methoxy benzaldehyde, C8H8O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","81","83","10.1515/ncrs-2020-0426","","","0.71073","MoKα","","0.0673","0.0433","","","0.0992","0.1087","","","","","","1.022","","","","has coordinates","274024","2022-03-28","07:37:51",""
"8104889","26.026","0.003","6.3807","0.0006","19.738","0.005","90","","98.162","0.016","90","","3244.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cd O10 -","- C16 H12 Cd O10 -","- C128 H96 Cd8 O80 -","8","1","","Luo, Jie; Gu, Guang-Na; Zheng, Ying-Li","Crystal structure of poly[diaqua-(m3-3′,5′-dicarboxy-[1,1′-biphenyl]-3,4-dicarboxylato-K4 O,O′:O″:O‴) cadmium(II)], C16H11O10Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","85","86","10.1515/ncrs-2020-0420","","","0.71073","MoKα","","0.0463","0.0354","","","0.0649","0.0685","","","","","","1.037","","","","has coordinates","274025","2022-03-28","07:41:15",""
"8104890","18.2539","0.0003","15.3118","0.0003","18.3718","0.0004","90","","91.2637","0.0017","90","","5133.67","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H78 Ca O22 S2 -","- C43 H78 Ca O22 S2 -","- C172 H312 Ca4 O88 S8 -","4","2","","Chang, Ying-Jie; Ding, Yuan-Min; Zhu, Lin-Yuan; Liu, Hong-Min; Li, Wen","Crystal structure of {tetraaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2 O,O') calcium(II)}-{triaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2 O,O') calcium(II)} – water – acetone (1/1/8/2)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","87","91","10.1515/ncrs-2020-0382","","x-ray","1.54184","CuKα","","0.0662","0.0544","","","0.147","0.1622","","","","","","1.023","","","","has coordinates","274026","2022-03-28","07:48:01",""
"8104891","10.5707","0.0004","11.1159","0.0005","15.926","0.0007","92.654","0.002","104.446","0.001","116.04","0.001","1601.9","0.12","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H60 Br4 N8 O9 Zn2 -","- C65 H60 Br4 N8 O9 Zn2 -","- C65 H60 Br4 N8 O9 Zn2 -","1","0.5","","Song, Xiao-San","Synthesis and crystal structure of bis{2-bromo-6-((E)-((4-((E)-1-(methoxy-imino)ethyl)phenyl)imino)methyl)phenolato- κ 2 N,O}zinc(II)-methanol(1/2), C65H60Br4N8O9Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","93","95","10.1515/ncrs-2020-0370","","","0.71073","MoKα","","0.0836","0.0574","","","0.115","0.1284","","","","","","1.096","","","","has coordinates,has disorder","274028","2022-03-28","08:11:54",""
"8104892","15.3524","0.0008","5.718","0.0003","15.3395","0.0009","90","","90","","90","","1346.58","0.13","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","benzenesulphonic acid","benzenesulphonic acid","","- C6 H6 O3 S -","- C6 H6 O3 S -","- C48 H48 O24 S8 -","8","2","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of benzenesulphonic acid","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","97","99","10.1515/ncrs-2020-0391","","","0.71073","MoKα","","0.0286","0.0253","","","0.0645","0.0663","","","","","","1.048","","","","has coordinates","274029","2022-03-28","08:18:41",""
"8104893","18.4336","0.0013","6.0321","0.0004","15.0585","0.001","90","","112.171","0.003","90","","1550.6","0.19","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-Benzyl-</i>N</i>-nicotinoyl-nicotine amide","<i>N</i>-Benzyl-</i>N</i>-nicotinoyl-nicotine amide","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of N-benzyl-N-nicotinoyl-nicotine amide C19H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","101","103","10.1515/ncrs-2020-0428","","","0.71073","MoKα","","0.0992","0.0535","","","0.1137","0.1298","","","","","","1.031","","","","has coordinates","274030","2022-03-28","08:21:36",""
"8104894","10.7841","0.001","8.014","0.0005","11.722","0.0011","90","","117.278","0.011","90","","900.4","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag2 N4 O8 S2 -","- C12 H18 Ag2 N4 O8 S2 -","- C24 H36 Ag4 N8 O16 S4 -","2","0.5","","He, Ze-Rong; Zhao, Han-Lin; Jiang, Jin-Ke; Cheng, Hao-Feng; Cheng, Jie; Dong, Xian-Wu","Crystal structure of poly[aqua(μ3-2,4-diamino-benzenesulfonato-κ4 N:N ′,O:O′)silver(I)], C12H18O8N4S2Ag2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","105","106","10.1515/ncrs-2020-0440","","","0.71073","MoKα","","0.0343","0.0279","","","0.0583","0.0627","","","","","","1.09","","","","has coordinates","274031","2022-03-28","08:26:04",""
"8104895","8.2947","0.0004","8.9964","0.0005","9.421","0.0005","70.988","0.001","79.971","0.001","82.567","0.001","652.52","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N6 Ni S4 -","- C26 H18 N6 Ni S4 -","- C26 H18 N6 Ni S4 -","1","0.5","","Yan, Wei-Hong; Pan, Hui-Yan","Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C26H18N6NiS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","107","108","10.1515/ncrs-2020-0407","","","0.71073","MoKα","","0.0444","0.034","","","0.0621","0.0643","","","","","","1.058","","","","has coordinates","274032","2022-03-28","08:30:55",""
"8104896","10.63346","0.00014","17.99387","0.00015","11.6032","0.00016","90","","116.216","0.0017","90","","1991.74","0.05","292.88","0.11","292.88","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Cl Cu N4 O3 -","- C23 H15 Cl Cu N4 O3 -","- C92 H60 Cl4 Cu4 N16 O12 -","4","1","","Yang, Qi; Hou, Meng-Qi; Chen, Pei-Rou; Li, Shuo; Zhou, Guang-Peng; Li, Gan; Chen, Dong-Dong","Crystal structure of the Cu(II) complex chlorido-(6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxylato-k2 N,O)-(phenanthroline-k2 N,N')copper(II), C23H15ClCuN4O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","109","111","10.1515/ncrs-2020-0398","","x-ray","1.54184","CuKα","","0.0339","0.0315","","","0.0874","0.0898","","","","","","1.012","","","","has coordinates","274033","2022-03-28","08:39:39",""
"8104897","7.718","0.0007","8.219","0.0007","11.962","0.001","87.438","0.004","73.45","0.004","72.167","0.004","691.66","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Phenarsazine chloride acetic acid solvate","","- C14 H13 As Cl N O2 -","- C14 H13 As Cl N O2 -","- C28 H26 As2 Cl2 N2 O4 -","2","1","","Averdunk, Arthur; Hosten, Eric C.; Betz, Richard","Crystal structure of phenarsazine chloride acetic acid solvate, C14H13AsClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","113","115","10.1515/ncrs-2020-0434","","","0.71069","MoKα","","0.0239","0.0203","","","0.0524","0.0541","","","","","","1.04","","","","has coordinates","274036","2022-03-28","09:04:34",""
"8104898","8.4357","0.001","10.1228","0.001","13.5186","0.001","83.83","0.007","84.306","0.008","89.406","0.009","1142","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 N O9 Zn -","- C27 H18 N O9 Zn -","- C54 H36 N2 O18 Zn2 -","2","1","","Luo, Jie; Wang, Xiao-Wei; Zheng, Ying-Li","Crystal structure of poly[aqua-(μ 2-3,3′,4,5′-biphenyl tetracarboxylate- κ 3 O,O′:O′′) -(μ 2-4,4′-bis(pyrid-4-yl)biphenyl-κ 2 N:N′)zinc(II)], C27H18NO9Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","117","119","10.1515/ncrs-2020-0411","","x-ray","0.71073","MoKα","","0.0929","0.0665","","","0.13","0.1427","","","","","","1.065","","","","has coordinates","274037","2022-03-28","09:09:39",""
"8104899","13.1936","0.0009","11.0544","0.0007","16.3653","0.0009","90","","99.214","0.006","90","","2356","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Ag N3 O3 S -","- C26 H24 Ag N3 O3 S -","- C104 H96 Ag4 N12 O12 S4 -","4","1","","Liu, Xin; Zhao, Han-Lin; Jiang, Jin-Ke; Ma, Si-Yu; Li, Yong; Li, Yu-Jie","Crystal structure of catena-poly[(μ2-3-amino-benzenedisulfonato-κ2 N:O)-bis (3-methyl-isoquinoline-κN)silver(I)], C26H24N3O3SAg","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","121","123","10.1515/ncrs-2020-0437","","","0.71073","MoKα","","0.1042","0.0495","","","0.084","0.108","","","","","","1.058","","","","has coordinates","274038","2022-03-28","09:19:02",""
"8104900","6.6909","0.0005","7.9787","0.0006","8.5551","0.0006","80.065","0.003","68.175","0.003","77.676","0.004","412.01","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","(4-aminophenylsulfanyl)acetic acid","(4-aminothiophenoxy)acetic acid","","- C8 H9 N O2 S -","- C8 H9 N O2 S -","- C16 H18 N2 O4 S2 -","2","1","","Maritz, Marius; Hosten, Eric C.; Betz, Richard","Crystal structure of 2-((4-Aminophenyl)thio)acetic acid, C8H9NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","125","127","10.1515/ncrs-2020-0397","","","0.71073","MoKα","","0.0272","0.0263","","","0.0775","0.0784","","","","","","1.094","","","","has coordinates","274039","2022-03-28","09:22:04",""
"8104901","5.2852","0.0002","13.3035","0.0006","10.7522","0.0005","90","","90.13","0.002","90","","756","0.06","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","phenarsazine chloride dimethyl sulfoxide solvate","","- C14 H15 As Cl N O S -","- C14 H15 As Cl N O S -","- C28 H30 As2 Cl2 N2 O2 S2 -","2","1","","Averdunk, Arthur; Hosten, Eric C.; Betz, Richard","Crystal structure of phenarsazine chloride dimethylsulfoxide solvate, C14H15AsClNOS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","129","131","10.1515/ncrs-2020-0394","","","0.71073","MoKα","","0.0215","0.02","","","0.0498","0.0503","","","","","","1.024","","","","has coordinates,has disorder","274040","2022-03-28","09:26:28",""
"8104902","5.8085","0.0013","16.533","0.004","18.171","0.004","90","","90","","90","","1745","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-azido-<i>N</i>-phenylacetamide","","- C8 H8 N4 O -","- C8 H8 N4 O -","- C64 H64 N32 O8 -","8","2","","Guerrab, Walid; Missioui, Mohcine; Zaoui, Younes; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 2-azido-N-phenylacetamide, C8H8N4O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","133","134","10.1515/ncrs-2020-0409","","","1.54178","CuKα","","0.0416","0.0399","","","0.1055","0.1078","","","","","","1.044","","","","has coordinates","274041","2022-03-28","09:30:24",""
"8104903","11.549","0.003","12.321","0.003","12.348","0.004","111.785","0.001","116.664","0.003","97.513","0.001","1361.3","0.7","197","2","197","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 B Cl Cu N6 -","- C30 H28 B Cl Cu N6 -","- C60 H56 B2 Cl2 Cu2 N12 -","2","1","","Fujisawa, Kiyoshi; Shimizu, Masaya; Tiekink, Edward R. T.","Crystal structure of chlorido{hydridotris[3-phenyl-5-methylpyrazol-1-yl-κN 3]borato}copper(II), C30H28BClCuN6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","135","138","10.1515/ncrs-2020-0410","","","0.71075","MoKα","","0.0588","0.044","","","0.0972","0.1063","","","","","","1.036","","","","has coordinates","274042","2022-03-28","09:33:27",""
"8104904","5.0604","0.0012","14.672","0.003","14.846","0.003","90","","90","","90","","1102.3","0.4","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","benzanthrone","benzanthrone","","- C17 H10 O -","- C17 H10 O -","- C68 H40 O4 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of benzanthrone – a redetermination for correct molecular geometry and localization of hydrogen atoms","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","139","141","10.1515/ncrs-2020-0389","","","0.71073","MoKα","","0.0709","0.0432","","","0.0923","0.1022","","","","","","1.017","","","","has coordinates","274058","2022-03-29","07:04:00",""
"8104905","27.3992","0.0018","3.9369","0.0002","12.8006","0.0008","90","","103.504","0.002","90","","1342.6","0.14","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>para</i>-bromo benzaldehyde","4-bromo benzaldehyde","","- C7 H5 Br O -","- C7 H5 Br O -","- C56 H40 Br8 O8 -","8","2","","Ndima, Lubabalo; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard","Crystal structure of 4-bromobenzaldehyde – complete redetermination at 200 K, C7H5BrO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","143","145","10.1515/ncrs-2020-0392","","","0.71073","MoKα","","0.0695","0.0469","","","0.1034","0.1103","","","","","","1.179","","","","has coordinates","274059","2022-03-29","07:08:46",""
"8104906","17.1345","0.0007","7.8207","0.0002","19.0213","0.0008","90","","108.268","0.001","90","","2420.46","0.16","184","2","184","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B Cl Cu N8 -","- C20 H30 B Cl Cu N8 -","- C80 H120 B4 Cl4 Cu4 N32 -","4","1","","Fujisawa, Kiyoshi; Tiekink, Edward R. T.","Crystal structure and spectroscopic properties of chlorido{hydridotris[3-,5-dimethylpyrazol-1-yl-κN 3]borato}(3-,5-dimethylpyrazol-1-yl-κN)copper(II), C20H30BClCuN8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","147","150","10.1515/ncrs-2020-0412","","","0.7107","MoKα","","0.0345","0.0322","","","0.0859","0.0876","","","","","","1.071","","","","has coordinates","274060","2022-03-29","07:11:54",""
"8104907","11.677","0.002","13.999","0.003","11.171","0.002","90","","90","","90","","1826.1","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Wang, Wenxiang; Zhu, Chao","The crystal structure of 4-((2-hydroxynaphthalen-1-yl)(pyrrolidin-1-yl)methyl)benzonitrile, C22H20N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","151","153","10.1515/ncrs-2020-0415","","","0.71073","MoKα","","0.0888","0.0521","","","0.0943","0.1078","","","","","","1.074","","","","has coordinates","274061","2022-03-29","07:14:50",""
"8104908","19.197","0.002","8.0719","0.0008","16.6511","0.0018","90","","100.171","0.01","90","","2539.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one","","- C17 H15 N O -","- C34 H30 N2 O2 -","- C136 H120 N8 O8 -","4","0.5","","Lin, Hui-Mei; Peng, Jia-Yin; Zou, Ting-Guang; Xu, Wan-Yi; Tao, Yi-Wen; Lai, Bao-Long","Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one, C17H15NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","155","156","10.1515/ncrs-2020-0422","","x-ray","0.71073","MoKα","","0.0472","0.0416","","","0.1053","0.1107","","","","","","1.032","","","","has coordinates","274062","2022-03-29","07:26:30",""
"8104909","9.62498","0.00007","11.78239","0.0001","12.74349","0.00013","78.7411","0.0008","73.5635","0.0008","76.6096","0.0001","1335.34","0.02","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C26 H40 Au F N O P S -","- C26 H40 Au F N O P S -","- C52 H80 Au2 F2 N2 O2 P2 S2 -","2","2","","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (tricyclohexylphosphane-κP)-[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-k1 S]gold(I), C26H40AuFNOPS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","157","161","10.1515/ncrs-2020-0399","","","1.54184","CuKα","","0.0226","0.0224","","","0.0554","0.0557","","","","","","1.042","","","","has coordinates,has disorder","274063","2022-03-29","07:30:33",""
"8104910","7.8727","0.0001","19.9173","0.0002","19.1801","0.0002","90","","94.539","0.001","90","","2998.06","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","2","","Ma, Ying; Wang, Hui-Yun; Zhang, Xiao-Fan; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (3S,8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H54O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","163","166","10.1515/ncrs-2020-0311","","","1.54178","CuKα","","0.0403","0.037","","","0.0951","0.0983","","","","","","1.034","","","","has coordinates","274064","2022-03-29","07:33:36",""
"8104911","6.6856","0.0005","8.8783","0.0007","13.2398","0.0009","90","","97.72","0.002","90","","778.75","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Gong, Yi-Xia; Geng, Yi-Ding","The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","167","168","10.1515/ncrs-2020-0439","","","0.71073","MoKα","","0.0708","0.0423","","","0.0851","0.097","","","","","","1.018","","","","has coordinates","274065","2022-03-29","07:36:54",""
"8104912","9.611","0.003","17.586","0.005","19.71","0.006","90","","98.374","0.007","90","","3295.8","1.7","182","2","182","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B N6 Tl -","- C30 H52 B N6 Tl -","- C120 H208 B4 N24 Tl4 -","4","1","","Fujisawa, Kiyoshi; Shimizu, Daichi; Tiekink, Edward R. T.","Crystal structure of {hydridotris[3-(t-butyl)-5-isopropylpyrazol-1-yl-κN 3]borato}thallium(I), C30H52BN6Tl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","169","172","10.1515/ncrs-2020-0405","","","0.71075","MoKα","","0.022","0.0152","","","0.0367","0.0381","","","","","","1.006","","","","has coordinates","274066","2022-03-29","07:41:00",""
"8104913","47.4887","0.0009","5.022","0.0001","16.4551","0.0003","90","","108.993","0.001","90","","3710.7","0.12","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-octyl-3-phenyl-1,2-dihydroquinoxaline-2-one","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","","Abad, Nadeem; Ferfra, Souad; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C22H26N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","173","175","10.1515/ncrs-2020-0404","","","1.54178","CuKα","","0.0391","0.0345","","","0.0899","0.0935","","","","","","1.03","","","","has coordinates","274067","2022-03-29","07:43:37",""
"8104914","4.9287","0.0005","10.1752","0.0008","10.9156","0.001","90","","90","","90","","547.42","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-difluorophenol","2,6-difluorophenol","","- C6 H4 F2 O -","- C6 H4 F2 O -","- C24 H16 F8 O4 -","4","1","","Manana, Pholani; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard","The crystal structure of 2,6-difluorophenol, C6H4F2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","177","178","10.1515/ncrs-2020-0432","","","0.71073","MoKα","","0.0264","0.0248","","","0.0688","0.0705","","","","","","1.094","","","","has coordinates","274068","2022-03-29","07:46:41",""
"8104915","8.4285","0.0004","19.2055","0.0009","19.7809","0.0012","90","","90","","90","","3202","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C144 H160 Br8 N8 O8 -","8","1","","Kailani, Mohammed H.; Awwadi, Firas F.","4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C18H20BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","179","180","10.1515/ncrs-2020-0436","","","0.71073","MoKα","","0.0843","0.0427","","","0.0912","0.1025","","","","","","1.022","","","","has coordinates","274069","2022-03-29","07:52:44",""
"8104916","4.7212","0.0004","11.1424","0.0008","12.8211","0.0009","90","","94.349","0.003","90","","672.52","0.09","200","2","200","2","","","","","","","","4","I 1 a 1","I -2ya","9","2,4-dimethylimidazole hydrate","2,4-dimethylimidazole hydrate","","- C5 H10 N2 O -","- C5 H10 N2 O -","- C20 H40 N8 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2,4-dimethylimidazole monohydrate, C5H10N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","181","183","10.1515/ncrs-2020-0507","","","0.71073","MoKα","","0.0284","0.028","","","0.0816","0.0821","","","","","","1.12","","","","has coordinates","274070","2022-03-29","07:56:04",""
"8104917","8.2492","0.0006","7.2496","0.0005","9.2882","0.0007","90","","99.214","0.002","90","","548.3","0.07","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-dimethylimidazole","1,2-dimethylimidazole","","- C5 H8 N2 -","- C5 H8 N2 -","- C20 H32 N8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 1,2-dimethylimidazole, C5H8N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","185","186","10.1515/ncrs-2020-0509","","","0.71073","MoKα","","0.0501","0.0477","","","0.1377","0.14","","","","","","1.044","","","","has coordinates","274071","2022-03-29","08:00:35",""
"8104918","8.9884","0.0006","6.049","0.0004","12.129","0.0008","90","","95.4","0.002","90","","656.54","0.08","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-ammonio-4-aminobenzoate","3-ammonio-4-aminobenzoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 3-ammonio-4-aminobenzoate, C7H8N2O2 – a second polymorph","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","187","188","10.1515/ncrs-2020-0510","","","0.71073","MoKα","","0.044","0.034","","","0.0915","0.0978","","","","","","1.037","","","","has coordinates","274072","2022-03-29","08:07:42",""
"8104919","16.1956","0.0011","11.7856","0.0008","18.7814","0.0013","90","","90","","90","","3584.9","0.4","292","1","292","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Cl N4 O5 S2 -","- C14 H15 Cl N4 O5 S2 -","- C112 H120 Cl8 N32 O40 S16 -","8","1","","Miao, Ming-zhi; Li, Ji","The crystal structure of 4-hydroxy-2,5-bis(1-methyl-1H-imidazol-3-ium-2-ylthio)-3,6-dioxocyclohexa-1,4-dienolate chloride monohydrate, C14H15N4O5S2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","189","191","10.1515/ncrs-2020-0501","","","0.71073","MoKα","","0.0558","0.0459","","","0.1166","0.1218","","","","","","1.025","","","","has coordinates","274073","2022-03-29","08:12:42",""
"8104920","5.6954","0.0003","10.0307","0.0006","20.4422","0.0014","90","","90","","90","","1167.84","0.12","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","butyrylferrocene","butyrylferrocene","","- C14 H16 Fe O -","- C14 H16 Fe O -","- C56 H64 Fe4 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of butyrylferrocene, C14H16FeO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","193","195","10.1515/ncrs-2020-0505","","","0.71073","MoKα","","0.0352","0.0267","","","0.0537","0.0559","","","","","","1.009","","","","has coordinates","274074","2022-03-29","08:17:14",""
"8104921","10.0025","0.0005","18.8285","0.0009","11.2384","0.0006","90","","115.327","0.002","90","","1913.11","0.17","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","bi-1,1'-cyclopentane-1,1'-diol","bi-1,1'-cyclopentane-1,1'-diol","","- C10 H18 O2 -","- C10 H18 O2 -","- C80 H144 O16 -","8","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of bi-1,1′-cyclopentane-1,1′-diol, C10H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","197","199","10.1515/ncrs-2020-0511","","","0.71073","MoKα","","0.065","0.0596","","","0.1561","0.1606","","","","","","1.093","","","","has coordinates","274075","2022-03-29","08:21:50",""
"8104922","7.4423","0.0005","7.942","0.0005","11.6711","0.0008","96.667","0.003","95.65","0.003","100.999","0.003","667.42","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","2-<i>iso</i>-propylimidazole","2-<i>iso</i>-propylimidazole","","- C6 H10 N2 -","- C5.9985 H9.9965 N2 -","- C23.994 H39.986 N8 -","4","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-iso-propylimidazole, C6H10N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","201","203","10.1515/ncrs-2020-0508","","","0.71073","MoKα","","0.0715","0.062","","","0.1578","0.1681","","","","","","1.061","","","","has coordinates,has disorder","274076","2022-03-29","08:25:21",""
"8104923","22.3832","0.0011","22.3832","0.0011","6.4522","0.0003","90","","90","","120","","2799.5","0.2","200","2","200","2","","","","","","","","4","R 3 :H","R 3","146","aqua-tris(1,3-diphenylpropane-1,3-dionato)-lanthanum(iii)","aqua-tris(1,3-diphenylpropane-1,3-dionato)-lanthanum(iii)","","- C45 H35 La O7 -","- C45 H34.9998 La O7 -","- C135 H104.999 La3 O21 -","3","0.333333","","Hickson, Matthew; Sephton, Abigail; Dugmore, Travis; Hosten, Eric C.; Betz, Richard","The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ2 O,O′)-lanthanum(III), C45H35LaO7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","205","207","10.1515/ncrs-2020-0504","","","0.71073","MoKα","","0.0193","0.0192","","","0.0462","0.0462","","","","","","1.037","","","","has coordinates","274077","2022-03-29","08:28:47",""
"8104924","16.6493","0.0009","15.3005","0.0008","8.8554","0.0005","90","","99.746","0.006","90","","2223.3","0.2","100","0.12","100","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F6 N O3 -","- C24 H21 F6 N O3 -","- C96 H84 F24 N4 O12 -","4","1","","Zhang, Xiao-Fan; Wang, Hui-yun; Song, Jia; Liang, Lun-Hai; Xu, Yang-Rong; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (3E,5E)-3,5-bis-4-methoxy-3-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","209","211","10.1515/ncrs-2020-0492","","","0.71073","MoKα","","0.0575","0.0444","","","0.1011","0.1094","","","","","","1.046","","","","has coordinates","274078","2022-03-29","08:32:00",""
"8104925","6.0044","0.0006","8.966","0.0011","18.0544","0.0018","90","","90","","90","","971.97","0.18","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-diazo-3,5-dichloro-2,4-dinitrocyclohexadiene-1-one","","- C6 Cl2 N4 O5 -","- C6 Cl2 N4 O5 -","- C24 Cl8 N16 O20 -","4","1","","Wang, Haifang","The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","213","214","10.1515/ncrs-2020-0491","","","0.71073","MoKα","","0.0911","0.0501","","","0.0826","0.0987","","","","","","1.115","","","","has coordinates","274079","2022-03-29","08:36:18",""
"8104926","9.2778","0.0018","9.8274","0.0016","14.444","0.003","99.748","0.006","91.33","0.007","114.197","0.006","1177.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 As N O2 Rh -","- C29 H23 As N O2 Rh -","- C58 H46 As2 N2 O4 Rh2 -","2","1","","Elmakki, Mohammed A.; Alexander, Orbett T.; Venter, Johan A.; Roodt, Andreas","Crystal structure of carbonyl(2-methylquinolin-8-olato-κ2 N,O)(triphenylarsine-κAs)rhodium(I), C29H23AsNO2Rh","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","215","217","10.1515/ncrs-2020-0494","","","0.71073","MoKα","","0.0998","0.0552","","","0.0872","0.1005","","","","","","1.038","","","","has coordinates","274080","2022-03-29","08:41:38",""
"8104927","15.7241","0.0013","7.0223","0.0005","18.4613","0.0014","90","","100.329","0.004","90","","2005.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C88 H100 N4 O20 -","4","1","","Luo, Jiahuan; Zhai, Shengxian; Han, Chuchu; Zhao, Hanwen","Crystal structure of (1aS,1a 1 S,2S)-4a-butoxy-1a,1a 1,2,4a,5,6-hexahydro-1H-cyclobuta[de]naphthalen-2-yl-4-nitrobenzoate, C22H25NO5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","219","221","10.1515/ncrs-2020-0496","","","0.71073","MoKα","","0.0674","0.0495","","","0.1413","0.1564","","","","","","1.019","","","","has coordinates","274081","2022-03-29","08:44:37",""
"8104928","9.1358","0.0005","9.6478","0.0006","12.4509","0.0007","92.303","0.002","106.281","0.002","99.137","0.002","1035.89","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 As N O3 Rh -","- C24 H19 As N O3 Rh -","- C48 H38 As2 N2 O6 Rh2 -","2","1","","Elmakki, Mohammed A.; Alexander, Orbett T.; Venter, Johan A.; Roodt, Andreas","Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-k2 O,O′)(triphenylarsine-κAs)rhodium(I), C24H19AsNO3Rh","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","223","225","10.1515/ncrs-2020-0490","","","0.71073","MoKα","","0.0438","0.0336","","","0.0819","0.09","","","","","","1.04","","","","has coordinates","274082","2022-03-29","08:48:10",""
"8104929","21.787","0.004","6.7594","0.0011","18.143","0.003","90","","102.456","0.002","90","","2609","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Ba N12 O15 -","- C14 H24 Ba N12 O15 -","- C56 H96 Ba4 N48 O60 -","4","0.5","","Xie, Wei; Li, Rui; Wang, Chuan-Qi","Crystal structure of catena-poly[triqua-bis(μ 2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3 N,O:O′)barium(II)] tetrahydrate, C14H14BaN12O15","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","227","229","10.1515/ncrs-2020-0487","","","0.71073","MoKα","","0.0222","0.0209","","","0.0559","0.0567","","","","","","1.022","","","","has coordinates","274083","2022-03-29","08:51:09",""
"8104930","10.902","0.002","12.434","0.002","13.481","0.004","102.881","0.005","104.935","0.005","114.542","0.003","1488.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 N6 O2 -","- C35 H32 N6 O2 -","- C70 H64 N12 O4 -","2","1","","Liu, Shuang-Shuang; Wu, Wei-Na; Wang, Yuan","Crystal structure of (E)-3′,6′-bis(ethylamino)-2-((quinoxalin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C35H32N6O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","231","233","10.1515/ncrs-2020-0478","","","0.71073","MoKα","","0.0906","0.0511","","","0.1198","0.1429","","","","","","1.052","","","","has coordinates","274084","2022-03-29","08:53:49",""
"8104931","9.1186","0.0004","12.8031","0.0006","13.0111","0.0006","63.504","0.004","79.4","0.004","77.198","0.004","1319.34","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cl4 N4 O16 Pb2 -","- C52 H40 Cl4 N4 O16 Pb2 -","- C52 H40 Cl4 N4 O16 Pb2 -","1","0.5","","Tang, Zhiwei; Wen, Decai","Crystal structure of diaqua-bis(μ2-5-chloro-salicylato-κ3 O,O′:O′)-bis(5-chloro-salicylato-κ2 O,O′)-bis(1,10-phenanthroline-κ2 N,N′) dilead(II) – water (1/2), C52H36C14N4O14Pb2·2(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","235","237","10.1515/ncrs-2020-0473","","x-ray","0.71073","MoKα","","0.0438","0.0342","","","0.0523","0.0554","","","","","","1.025","","","","has coordinates","274085","2022-03-29","08:57:00",""
"8104932","13.628","0.0014","14.4801","0.0015","14.4962","0.0015","90","","97.586","0.002","90","","2835.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O7 -","- C31 H29 N3 O7 -","- C124 H116 N12 O28 -","4","1","","Zhang, Ling; Wu, Wei-Na; Wang, Yuan","Crystal structure of (E)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-(pyrrole-2-ylmethyleneamino)-3′,6′-dihydroxylspiro[isoindoline-1,9′-xanthen]-3-one-methanol (1/1), C31H29N3O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","239","241","10.1515/ncrs-2020-0479","","","0.71073","MoKα","","0.088","0.0532","","","0.136","0.1569","","","","","","1.032","","","","has coordinates","274086","2022-03-29","09:00:40",""
"8104933","27.19","0.004","4.3317","0.0006","17.297","0.002","90","","90","","90","","2037.2","0.5","150","0.1","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","2","","Wang, Li-Hua; Zhou, Xiao-Jing; Liu, Li-Li; Zhang, Ai-Ling; Tai, Xi-Shi","The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","243","244","10.1515/ncrs-2020-0482","","x-ray","0.71073","MoKα","","0.0674","0.0524","","","0.103","0.1122","","","","","","1.021","","","","has coordinates","274087","2022-03-29","09:03:19",""
"8104934","17.1519","0.0013","13.981","0.0008","15.2299","0.0009","90","","123.031","0.007","90","","3061.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F4 O2 -","- C19 H14 F4 O2 -","- C152 H112 F32 O16 -","8","1","","Luan, Ming-Zhu; Wang, Hui-Yun; Zhang, Mei; Song, Jia; Xu, Yang-Rong; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","245","247","10.1515/ncrs-2020-0484","","","0.71073","MoKα","","0.0517","0.041","","","0.0939","0.101","","","","","","1.029","","","","has coordinates","274097","2022-03-30","07:04:58",""
"8104935","9.605","0.0002","9.7531","0.0002","13.2788","0.0002","75.13","0.001","81.824","0.001","72.329","0.002","1142.75","0.04","294.45","0.1","294.45","0.1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide","","- C25 H20 N2 O2 Se2 -","- C25 H20 N2 O2 Se2 -","- C50 H40 N4 O4 Se4 -","2","1","","Wang, Lu-Yao; Wang, Qing; Zhang, Meng-Meng; Li, Ping-Ping; Guo, Xiao-Long","The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C25H20N2O2Se2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","249","250","10.1515/ncrs-2020-0486","","x-ray","1.54184","CuKα","","0.0407","0.0393","","","0.108","0.1092","","","","","","1.039","","","","has coordinates","274098","2022-03-30","07:14:38",""
"8104936","32.932","0.003","5.849","0.0007","7.3606","0.0008","90","","90","","90","","1417.8","0.3","150","0.1","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H14 Br N3 O3 -","- C14 H14 Br N3 O3 -","- C56 H56 Br4 N12 O12 -","4","1","","Li-Hua, Wang; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Xi-Shi, Tai","The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","251","252","10.1515/ncrs-2020-0471","","x-ray","0.71073","MoKα","","0.0282","0.026","","","0.0541","0.0553","","","","","","1.029","","","","has coordinates","274099","2022-03-30","07:19:26",""
"8104937","7.9325","0.0009","13.8112","0.0016","13.4577","0.0015","90","","92.637","0.004","90","","1472.8","0.3","101","","101","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","fac-Tricarbonyl-(nitrato)-bis(pyridine-N)-rhenium","","- C13 H10 N3 O6 Re -","- C13 H10 N3 O6 Re -","- C52 H40 N12 O24 Re4 -","4","1","","Jacobs, Francois J. F.; Brink, Alice","Crystal structure of fac-tricarbonyl-(nitrato-k1 O)-bis(pyridine-κN)-rhenium, C13H10O6N3Re","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","253","255","10.1515/ncrs-2020-0475","","","0.71073","MoKα","","0.0291","0.0249","","","0.0552","0.0568","","","","","","1.08","","","","has coordinates","274100","2022-03-30","07:24:24",""
"8104938","10.591","0.005","10.833","0.005","12.503","0.006","73.69","0.007","88.569","0.007","60.856","0.006","1191.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O6 -","- C27 H25 N3 O6 -","- C54 H50 N6 O12 -","2","1","","Song, Yu-Fei; Wu, Wei-Na; Wang, Yuan","Crystal structure of (E)-2-(((1H-pyrrol-2-yl)methylene)amino)-3′,6′-dihydroxyspiro[isoindoline-1,9′-xanthen]-3-one — methanol (1/2), C27H25N3O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","257","258","10.1515/ncrs-2020-0480","","","0.71073","MoKα","","0.0884","0.0542","","","0.1483","0.1716","","","","","","1.032","","","","has coordinates","274101","2022-03-30","07:27:59",""
"8104939","8.0968","0.0007","16.6829","0.0017","5.3097","0.0005","90","","90","","90","","717.22","0.12","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C28 H32 N8 O6 -","2","0.5","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang","The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","259","260","10.1515/ncrs-2020-0476","","","0.71073","MoKα","","0.0548","0.042","","","0.0759","0.0816","","","","","","1.011","","","","has coordinates","274102","2022-03-30","07:30:45",""
"8104940","15.8571","0.0011","7.6581","0.0005","16.9166","0.0012","90","","113.334","0.001","90","","1886.3","0.2","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N8 O6 S2 -","- C12 H20 N8 O6 S2 -","- C48 H80 N32 O24 S8 -","4","1","","Chen, Kun; Shi, Yanmei; Zhu, Xin","Crystal structure of bis(amino(carbamothioylamino)methaniminium) 5-hydroxyisophthalate monohydrate, C12H20N8O6S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","261","262","10.1515/ncrs-2020-0472","","","0.71073","MoKα","","0.035","0.0317","","","0.1012","0.1053","","","","","","1.062","","","","has coordinates","274103","2022-03-30","07:33:40",""
"8104941","6.5211","0.0002","10.2467","0.0003","9.1436","0.0003","90","","94.1771","0.0011","90","","609.35","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(chloromethyl)pyridine","2-(chloromethyl)pyridine","","- C6 H6 Cl N -","- C6 H6 Cl N -","- C24 H24 Cl4 N4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-(chloromethyl)pyridine, C6H6ClN","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","263","265","10.1515/ncrs-2020-0513","","","0.71073","MoKα","","0.0282","0.026","","","0.0663","0.068","","","","","","1.054","","","","has coordinates","274104","2022-03-30","07:36:25",""
"8104942","4.1704","0.0006","5.8242","0.0008","14.929","0.002","90","","97.315","0.005","90","","359.66","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-bromo-4-iodo-benzene","1-bromo-4-iodo-benzene","","- C6 H4 Br I -","- C6 H4 Br I -","- C12 H8 Br2 I2 -","2","0.5","","Hosten, Eric C.; Betz, Richard","The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","267","268","10.1515/ncrs-2020-0516","","","0.71073","MoKα","","0.0364","0.0303","","","0.0926","0.0982","","","","","","1.111","","","","has coordinates,has disorder","274105","2022-03-30","07:39:49",""
"8104943","6.9121","0.0004","26.97","0.0015","8.7204","0.0005","90","","106.152","0.003","90","","1561.48","0.16","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-dimethyl-4-nitro-phenol","2,6-dimethyl-4-nitro-phenol","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2,6-dimethyl-4-nitro-phenol, C8H9NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","269","271","10.1515/ncrs-2020-0517","","","0.71073","MoKα","","0.0626","0.0486","","","0.131","0.1399","","","","","","1.045","","","","has coordinates","274106","2022-03-30","07:42:35",""
"8104944","5.2011","0.0004","7.4362","0.0004","24.1175","0.0015","90","","94.594","0.003","90","","929.78","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-chloropropionic acid","3-chloropropionic acid","","- C3 H5 Cl O2 -","- C3 H5 Cl O2 -","- C24 H40 Cl8 O16 -","8","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 3-chloropropionic acid, C3H5ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","273","275","10.1515/ncrs-2020-0518","","","0.71069","MoKα","","0.0398","0.0333","","","0.075","0.0795","","","","","","1.106","","","","has coordinates","274107","2022-03-30","07:45:55",""
"8104945","14.257","0.0006","7.925","0.0004","29.8796","0.0013","90","","90","","90","","3376","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-(2-methoxyphenyl)acetic acid","2-(2-methoxyphenyl)acetic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C144 H160 O48 -","16","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-(2-methoxyphenyl)acetic acid, C9H10O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","277","279","10.1515/ncrs-2020-0519","","","0.71073","MoKα","","0.0658","0.0404","","","0.0941","0.105","","","","","","1.031","","","","has coordinates","274108","2022-03-30","07:49:05",""