Crystallography Open Database

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2223464 CIF
HKL
Paper
C8 H13 N3 OF d d 214.452; 33.39; 7.4354
90; 90; 90
3588Zhang, Jian-Feng; Huang, Feng; Chen, Shu-Jiao
3-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)propanamide
Acta Crystallographica Section E, 2009, 65, o2442
2223583 CIF
HKL
Paper
C44 H42 Cl2 Os P2F d d 239.6505; 10.4393; 17.6248
90; 90; 90
7295.3Ye, Chen; Wen, Ting Bin
Dichlorido(η^4^-cycloocta-1,5-diene)bis(triphenylphosphine)osmium(II)
Acta Crystallographica Section E, 2009, 65, m1242
2223611 CIF
HKL
Paper
C28 H22 N4 O4F d d 232.648; 11.459; 12.516
90; 90; 90
4682Wang, Jing-Lin
<i>N</i>,<i>N</i>'-Di-8-quinolyl-2,2'-(<i>o</i>-phenylenedioxy)diacetamide
Acta Crystallographica Section E, 2009, 65, o2844
2223741 CIF
HKL
Paper
C26 H24 Cu N2 O5F d d 236.033; 37.681; 7.0402
90; 90; 90
9559Dong, Xi-Yan; Xu, Xiaojie; Yang, Lei
Aquabis(benzoato-κ<i>O</i>)(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)
Acta Crystallographica Section E, 2009, 65, m1290
2223997 CIF
HKL
Paper
C32 H25 Cl2 N2 O4 SbF d d 213.0168; 20.298; 21.849
90; 90; 90
5772.8Wen, Liyuan; Yin, Handong; Wang, Chuanhua
Bis(2-amino-4-chlorobenzoato)triphenylantimony(V)
Acta Crystallographica Section E, 2009, 65, m1442
2224305 CIF
HKL
Paper
C24 H12 Cl2 Hg N4 O4F d d 28.2261; 42.6761; 12.6108
90; 90; 90
4427.12Figueiras, Carlos A. L.; Bomfim, João A. S.; Howie, R. Alan; Tiekink, Edward R. T.; Wardell, James L.
Dichloridobis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)
Acta Crystallographica Section E, 2009, 65, m1645
2224954 CIF
HKL
Paper
C12 H8 B BrF d d 234.939; 85.482; 3.9672
90; 90; 90
11848.7Hübner, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
9-Bromo-9-borafluorene
Acta Crystallographica Section E, 2010, 66, o444
2225047 CIF
HKL
Paper
C25 H20 Br2 N4 O6F d d 214.874; 33.592; 10.72
90; 90; 90
5356.2Jian, Fang-Fang; Zhao, Shan-Shan; Guo, Huan-Mei; Li, Yu-Feng; Zhao, Pu-Su
2,7-Dibromo-9,9-bis[(pyridin-1-ium-4-yl)methyl]fluorene dinitrate
Acta Crystallographica Section E, 2010, 66, o251
2225273 CIF
HKL
Paper
C21 H26 N2 O6F d d 225.292; 34.412; 4.7176
90; 90; 90
4106Wang, Li; Sun, Yin-Xia; Tong, Jun-Feng
6,6'-Diethoxy-2,2'-[propane-1,3-diyldioxybis(nitrilomethylidyne)]diphenol
Acta Crystallographica Section E, 2010, 66, o512
2225614 CIF
Paper
C26 H20 O4F d d 23.9919; 60.385; 16.231
90; 90; 90
3912.5Xia, Liang-You
(Naphthalene-1,4-diyl)dimethyl dibenzoate
Acta Crystallographica Section E, 2010, 66, o860
2225912 CIF
HKL
Paper
C11 H14 Cl2 N2 OF d d 216.3384; 19.0958; 7.7916
90; 90; 90
2430.9Fu, Wen-Zhen; Wang, Wei-Juan; Niu, Yun-Yin; Ng, Seik Weng
1,1'-Methylenedipyridinium dichloride monohydrate
Acta Crystallographica Section E, 2010, 66, o1211
2226516 CIF
HKL
Paper
C9 H10 Co N5 O Se2F d d 220.4069; 33.0633; 8.375
90; 90; 90
5650.8Wriedt, Mario; Jess, Inke; Näther, Christian
Poly[tetrakis(selenocyanato-κ<i>N</i>)bis(methanol-κ<i>O</i>)tris(μ-pyrimidine-κ^2^<i>N</i>:<i>N</i>')dicobalt(II)]
Acta Crystallographica Section E, 2010, 66, m742
2227120 CIF
HKL
Paper
C12 H8 N2 O4F d d 216.1215; 37.126; 7.1317
90; 90; 90
4268.5Zhao, Xiao-Jun; Hao, Cheng-Jun
3-Nitro-5-(4-pyridinio)benzoate
Acta Crystallographica Section E, 2010, 66, o2106
2227211 CIF
HKL
Paper
C20 H21 N5 O4F d d 219.981; 37.3673; 10.7181
90; 90; 90
8002.5Li, Qing; Wang, Xian-Yu; Qin, Cheng-Ming; Wang, Yan-Lin
Ethyl 2-isopropylamino-6-methyl-8-oxo-3-phenyl-3<i>H</i>,8<i>H</i>-furo[2,3-<i>d</i>][1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-7-carboxylate
Acta Crystallographica Section E, 2010, 66, o2384
2227271 CIF
HKL
Paper
C14 H11 N3 OF d d 219.328; 41.612; 5.6288
90; 90; 90
4527.1Abdel-Aziz, Hatem A.; Bari, Ahmed; Aboul-Fadl, T.; Ng, Seik Weng
(<i>Z</i>)-3-Hydrazinylidene-1-phenylindolin-2-one
Acta Crystallographica Section E, 2010, 66, o3014
2227390 CIF
HKL
Paper
C11 H8 N6 O4 SF d d 213.5452; 27.952; 14.1107
90; 90; 90
5342.5Basanagouda, Mahantesha; Nayak, Susanta K.; Guru Row, T. N.; Kulkarni, Manohar V.
4-Azidomethyl-7-methyl-2-oxo-2<i>H</i>-chromene-6-sulfonyl azide
Acta Crystallographica Section E, 2010, 66, o2780
2227494 CIF
HKL
Paper
C9 H9.5 Cl N2 O4.25F d d 223.899; 48.298; 3.7314
90; 90; 90
4307.1Hemamalini, Madhukar; Fun, Hoong-Kun
2-Amino-5-chloropyridinium (<i>Z</i>)-3-carboxyprop-2-enoate 0.25-hydrate
Acta Crystallographica Section E, 2010, 66, o2457-o2458
2228084 CIF
HKL
Paper
C12 H13 Br N4 O2F d d 213.0606; 60.5887; 6.5618
90; 90; 90
5192.51Fun, Hoong-Kun; Loh, Wan-Sin; Nayak, Suresh P.
4-Methoxybenzaldehyde (5-bromopyrimidin-2-yl)hydrazone monohydrate
Acta Crystallographica Section E, 2010, 66, o2467
2228111 CIF
HKL
Paper
C10 H14 Mn N6 O7F d d 28.3107; 29.5862; 12.3791
90; 90; 90
3043.8Gao, Shan; Ng, Seik Weng
Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquamanganese(II) monohydrate
Acta Crystallographica Section E, 2010, 66, m1223
2228118 CIF
HKL
Paper
C21 H19 Cl2 Cu N3F d d 211.522; 35.522; 9.327
90; 90; 90
3817.4Li, Xiao-Ping; Zhao, Jian-She; Ng, Seik Weng
[2,6-Bis(<i>p</i>-tolyliminomethyl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']dichloridocopper(II)
Acta Crystallographica Section E, 2010, 66, m1297
2228130 CIF
HKL
Paper
C13 H9 N O4F d d 215.5362; 37.371; 7.1716
90; 90; 90
4163.9Zhang, Yong-Fang; Zhang, Qing-Fu; Jin, Juan; Sun, De-Zhi; Wang, Da-Qi
5-(Pyridin-4-yl)isophthalic acid
Acta Crystallographica Section E, 2010, 66, o2928
2228788 CIF
HKL
Paper
C14 H14 O SF d d 217.882; 53.15; 10.233
90; 90; 90
9726Zeng, Yun-Xiu; Xu, Zhi-Guang; Zhan, Qing-Guang; Liu, Hai-Yang
Dibenzyl sulfoxide
Acta Crystallographica Section E, 2011, 67, o177
2228890 CIF
HKL
Paper
C22 H26 N2 O6F d d 219.7306; 28.7632; 7.1906
90; 90; 90
4080.8Wu, Bianhua; Peng, Ge; Cheng, Youwei; Li, Xi; Liu, Jiyong
Naphthalene-2,6-dicarboxylic acid‒1-methylpyrrolidin-2-one (1/2)
Acta Crystallographica Section E, 2011, 67, o208
2229189 CIF
HKL
Paper
C12 H24 Cl NF d d 240.0268; 23.1726; 5.3463
90; 90; 90
4958.8Pourayoubi, Mehrdad; Negari, Monireh; Nečas, Marek
<i>N</i>-Cyclohexylcyclohexanaminium chloride
Acta Crystallographica Section E, 2011, 67, o332
2229216 CIF
HKL
Paper
Ca H20 Na2 Ni2 O24 P4F d d 211.934; 32.774; 10.986
90; 90; 90
4296.9Cui, Yun-Cheng; Zhao, Yan-Hui
Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate
Acta Crystallographica Section E, 2011, 67, i13-i14
2229933 CIF
HKL
Paper
C17 H15 Cl N2 OF d d 223.154; 43.8905; 5.6239
90; 90; 90
5715.24Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Abdel-Ghany, Hossam; Ng, Seik Weng
4-(4-Chlorobenzyl)-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
Acta Crystallographica Section E, 2011, 67, o1153
2230482 CIF
HKL
Paper
C13 H9 N O4F d d 215.5702; 37.377; 7.2016
90; 90; 90
4191.1Li, Shi-Jie; Miao, Dong-Liang; Song, Wen-Dong; Tong, Shao-Wei
3-Carboxy-5-(pyridinium-4-yl)benzoate: a redetermination
Acta Crystallographica Section E, 2011, 67, o1353
2230520 CIF
HKL
Paper
C12 H12 Co N4 O10F d d 224.683; 27.885; 8.734
90; 90; 90
6011Wang, Ying; Gao, Xin-Lian
Diaqua[5,5'-dicarboxy-2,2'-(ethane-1,2-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]cobalt(II)
Acta Crystallographica Section E, 2011, 67, m815
2230672 CIF
HKL
Paper
C24 H20 F6 N2 O2F d d 227.2766; 34.1005; 9.4431
90; 90; 90
8783.5Gonçalves, Raoni S. B.; Kaiser, Carlos R.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.
2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1<i>H</i>-1,3-oxazolo[3,4-<i>a</i>]pyridin-3-yl}phenol
Acta Crystallographica Section E, 2011, 67, o1656-o1657
2230806 CIF
HKL
Paper
C6 H7 Br Cl K N O3.5 SF d d 212.343; 52.066; 6.942
90; 90; 90
4461.3Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.
Potassium <i>N</i>-bromo-2-chlorobenzenesulfonamidate sesquihydrate
Acta Crystallographica Section E, 2011, 67, m926
2231037 CIF
HKL
Paper
C7 H10 Br K N O3.5 SF d d 212.271; 55.017; 6.904
90; 90; 90
4661Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.
Potassium <i>N</i>-bromo-2-methylbenzenesulfonamidate sesquihydrate
Acta Crystallographica Section E, 2011, 67, m1015
2231268 CIF
HKL
Paper
C16 H15 N3 O3F d d 217.4294; 48.2746; 6.7947
90; 90; 90
5717.04Li, Shi-Kun; Zhang, Fan; Lv, Tian-Xi; Lin, Qiu-Yue
<i>exo</i>-4-[(1<i>H</i>-Benzimidazol-2-yl)methyl]-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decane-3,5-dione
Acta Crystallographica Section E, 2011, 67, o1974
2231598 CIF
HKL
Paper
C12 H13 N5 O2F d d 226.5036; 28.9987; 6.2193
90; 90; 90
4780Booysen, Irvin; Hlela, Thulani; Ismail, Muhammed; Gerber, Thomas; Hosten, Eric; Betz, Richard
(<i>E</i>)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
Acta Crystallographica Section E, 2011, 67, o2289
2231741 CIF
HKL
Paper
C13 H12 N4 O4 SF d d 218.0113; 35.5302; 8.29
90; 90; 90
5305.1Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Obaid, Abdullah.Y.; Ng, Seik Weng
4-(3,7-Dimethyl-4-oxo-4,5-dihydroisoxazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide
Acta Crystallographica Section E, 2011, 67, o2466
2231873 CIF
HKL
Paper
C20 H19 F O2 SF d d 220.0254; 33.197; 10.0233
90; 90; 90
6663.3Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk
5-Cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
Acta Crystallographica Section E, 2011, 67, o2591
2232053 CIF
HKL
Paper
C17 H17 N O4F d d 231.563; 44.508; 3.9504
90; 90; 90
5549.5Fun, Hoong-Kun; Chantrapromma, Suchada; Suwunwong, Thitipone
(2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Acta Crystallographica Section E, 2011, 67, o2789-o2790
2232056 CIF
HKL
Paper
C20 H23 Cl O4F d d 236.8219; 15.9526; 25.9325
90; 90; 90
15232.9Wang, Zong-cheng; Cheng, Jing-li; Zhao, Jin-hao; Yu, Feng
3-<i>tert</i>-Butyl-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate
Acta Crystallographica Section E, 2011, 67, o2804
2232928 CIF
HKL
Paper
Ba Mn Se4 SnF d d 222.3143; 22.7057; 13.4523
90; 90; 90
6815.8Assoud, Abdeljalil; Kuropatwa, Bryan A.; Kleinke, Holger
Barium manganese(II) selenostannate(IV), BaMnSnSe~4~
Acta Crystallographica Section E, 2011, 67, i72
2233003 CIF
HKL
Paper
C14 H16 N2 O7 ZnF d d 217.81; 47.447; 7.4063
90; 90; 90
6259Lu, Yu-Kun; Liu, Jian; Diao, Cheng-Lin; Lü, Ren-Qing; Liu, Yun-Qi
Poly[[(4,4'-bipyridine-κ<i>N</i>)[μ~3~-(<i>S</i>)-2-hydroxybutanedioato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^4'^]zinc] dihydrate]
Acta Crystallographica Section E, 2011, 67, m1684-m1685
2233978 CIF
HKL
Paper
C13 H20 F6 N O PF d d 226.054; 28.528; 16.295
90; 90; 90
12112Yang, Fang; Zang, Hongjun; Cheng, Bowen; Xu, Xianlin; Ren, Yuanlin
4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate
Acta Crystallographica Section E, 2012, 68, o840
2234375 CIF
HKL
Paper
C24 H42 N4 Ni Si2F d d 221.2631; 30.0347; 8.6228
90; 90; 90
5506.8Chen, Juan; Li, Jing
Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilinido-κ^2^<i>N</i>,<i>N</i>'}nickel(II)
Acta Crystallographica Section E, 2012, 68, m357
2235073 CIF
HKL
Paper
C49 H68 Cl2 N10 S2F d d 266.849; 22.1076; 6.5109
90; 90; 90
9622.3El-Emam, Ali A.; Al-Omar, Mohamed A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.
3-(Adamantan-1-yl)-4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dichloromethane hemisolvate
Acta Crystallographica Section E, 2012, 68, o1772-o1773
2235128 CIF
HKL
Paper
C9 H13 Cl Cr N2 O11.5F d d 211.376; 53.041; 10.413
90; 90; 90
6283.1Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed
2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate
Acta Crystallographica Section E, 2012, 68, m824-m825
2235373 CIF
HKL
Paper
C21 H24 O4F d d 226.337; 28.349; 4.99
90; 90; 90
3726Suresh, G.; Sabari, V.; Devaraj, A.; Bakthadoss, M.; Aravindhan, S.
2,2'-Diisopropoxy-5,5'-methylenedibenzaldehyde
Acta Crystallographica Section E, 2012, 68, o2199
2235828 CIF
HKL
Paper
C8 H8 O3F d d 224.367; 24.407; 4.7786
90; 90; 90
2842Shin, David; Müller, Peter
2-Hydroxy-3-methoxybenzaldehyde (<i>o</i>-vanillin) revisited
Acta Crystallographica Section E, 2012, 68, o2336-o2337
2235866 CIF
HKL
Paper
C8 H6 Br N2 O0.5F d d 213.5; 29.964; 7.5565
90; 90; 90
3056.7Cai, Mingjian
5-Bromophthalazine hemihydrate
Acta Crystallographica Section E, 2012, 68, o2421
2235991 CIF
HKL
Paper
C17 H14 Cl4 N2 O2F d d 224.9797; 31.666; 4.4495
90; 90; 90
3519.6Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz
4,4',6,6'-Tetrachloro-2,2'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(nitrilomethanylylidene)]diphenol
Acta Crystallographica Section E, 2012, 68, o2323
2236089 CIF
HKL
Paper
C16 H18 N2 O4 ZnF d d 214.4779; 28.57; 8.0854
90; 90; 90
3344.4Harvey, Miguel A.; Suarez, Sebastian A.; Ibañez, Andres; Doctorovich, Fabio; Baggio, Ricardo
Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc
Acta Crystallographica Section E, 2012, 68, m1377-m1378
2236683 CIF
HKL
Paper
Li Mo9 Na5 O30F d d 27.1927; 37.159; 17.925
90; 90; 90
4790.9Hamza, Hamadi; Ennajeh, Ines; Zid, Mohamed Faouzi; Driss, Ahmed
LiNa~5~Mo~9~O~30~
Acta Crystallographica Section E, 2012, 68, i80-i81
2237066 CIF
Paper
C6 H4 Cl N3F d d 222.8022; 14.2637; 8.2259
90; 90; 90
2675.4Yuan, Ming-Yong; Zhao, Xia; Zheng, Ling-Li
1-Chloro-1<i>H</i>-1,2,3-benzotriazole
Acta Crystallographica Section E, 2012, 68, o3432
2238638 CIF
Paper
C19 H25 Cl2 N O SiF d d 242.892; 13.335; 14.234
90; 90; 90
8141Xiao, Han; Yang, Wan-Qiu; Shen, Liang
2-Dichloromethyl-<i>N</i>-ethyl-5-(1-phenylsilolan-1-yl)cyclopent-3-enecarboxamide
Acta Crystallographica Section E, 2013, 69, o1530
2238855 CIF
Paper
C19.5 H22 Al Cl N2 O3F d d 224.427; 30.875; 10.0956
90; 90; 90
7613.9Zaitsev, Kirill V.; Kuchuk, Ekaterina A.; Karlov, Sergey S.; Zaitseva, Galina S.; Churakov, Andrei V.
{2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate
Acta Crystallographica Section E, 2013, 69, m631-m632
2239083 CIF
HKL
C16 H18 N6 O5F d d 238.307; 46.05; 3.7832
90; 90; 90
6674Koteswara Rao, Vandavasi; Siddiqui, Tausif; Zeller, Matthias; Lovelace-Cameron, Sherri R.
Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate
Acta Crystallographica Section E, 2014, 70, o166-o167
2239100 CIF
HKL
Paper
C24 H56 Cl6 N2 O14 PtF d d 229.6079; 30.5302; 8.5175
90; 90; 90
7699.3Bulatov, Evgeny; Afanasenko, Anastasiya; Chulkova, Tatiana; Haukka, Matti
Bis(hydroxyammonium) hexachloridoplatinate(IV)‒18-crown-6 (1/2)
Acta Crystallographica Section E, 2014, 70, m7-m8
2239247 CIF
HKL
Paper
C17.47 H19.87 N4 O5.47F d d 29.447; 17.585; 22.8714
90; 90; 90
3799.5Sow, Mouhamadou Moustapha; Diouf, Ousmane; Seck, Matar; Barry, Aliou Hamady; Gaye, Mohamed
1,5-Bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide methanol 0.47-solvate
Acta Crystallographica Section E, 2014, 70, o423
2239488 CIF
HKL
Paper
C8 H14 Ag N3F d d 220.853; 14.099; 14.364
90; 90; 90
4223Cui, Guo-Gen; Yang, Xiao-Xi; Yang, Jian-Ping; Jiang, Xiang
Poly[(μ~3~-3,5-diisopropyl-4<i>H</i>-1,2,4-triazolato-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'')silver(I)]
Acta Crystallographica Section E, 2014, 70, m189
2239575 CIF
HKL
Paper
C24 H38 Cl4 N2 SnF d d 213.558; 49.646; 8.058
90; 90; 90
5424Sarr, Modou; Merkens, Carina; Diassé-Sarr, Aminata; Diop, Libasse; Englert, Ulli
Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)
Acta Crystallographica Section E, 2014, 70, m220-m221
2240117 CIF
HKL
Paper
C8 H11 N O3F d d 213.743; 38.302; 6.2686
90; 90; 90
3299.7Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure
Acta Crystallographica Section E, 2014, 70, 385-388
2240125 CIF
HKL
Paper
C10 H18 N4 O6F d d 238.821; 20.9; 7.172
90; 90; 90
5819Bouaoud, Yasmina; Smith, Graham; Merazig, Hocine; Setifi, Zouaoui
Crystal structure of <i>N</i>,<i>N</i>-diethylbenzene-1,4-diaminium dinitrate
Acta Crystallographica Section E, 2014, 70, o1191-o1192
2240569 CIF
HKL
Paper
C20 H26 Br2 N4 O2F d d 220.693; 21.7954; 9.4649
90; 90; 90
4268.8Rivera, Augusto; Uribe, Juan Manuel; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael
Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (TATD)‒4-bromophenol (1/2)
Acta Crystallographica Section E, 2015, 71, 463-465
2240864 CIF
HKL
C14 H16 N2 S3F d d 219.284; 56.44; 11.1695
90; 90; 90
12157Barany, George; Henley, Matthew J.; Polski, Lauren A.; Schroll, Alayne L.; Young, Jr, Victor G.
Crystal structure of bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane
Acta Crystallographica Section E, 2015, 71, 836-839
2241185 CIF
HKL
Paper
C14 H13 N3 O4F d d 224.0182; 26.8445; 7.914
90; 90; 90
5102.6Raja, Rajamani; Poomathi, Nataraj; Perumal, Paramasivam T.; SubbiahPandi, A.
Crystal structure of 1-methyl-2-methylamino-3-nitro-1<i>H</i>-chromeno[2,3-<i>b</i>]pyridin-5(10<i>aH</i>)-one
Acta Crystallographica Section E, 2015, 71, o824-o825
2241402 CIF
HKL
C24 H42 N4 Si2 ZnF d d 229.7954; 21.3566; 8.5844
90; 90; 90
5462.5Chen, Juan
Crystal structure of bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-κ^2^<i>N</i>,<i>N</i>'}zinc
Acta Crystallographica Section E, 2015, 71, m246
2241715 CIF
HKL
Paper
C14 H12 N6 O2 S2 ZnF d d 219.1926; 36.3044; 5.293
90; 90; 90
3688Neumann, Tristan; Jess, Inke; Näther, Christian
Crystal structure of bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc
Acta Crystallographica Section E, 2016, 72, 922-925
2241843 CIF
HKL
Paper
C19 H15 Co N3 O5F d d 235.4631; 40.2873; 4.8423
90; 90; 90
6918.3Zhao, Can; Li, Xiao-Zong; Kang, Hong-Lan; Wen, Yi-Hang
Crystal structure of poly[{μ~3~-(<i>E</i>)-3-[3-(carboxylatomethoxy)phenyl]acrylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''}[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]
Acta Crystallographica Section E, 2016, 72, 1425-1428
2241846 CIF
HKL
Paper
C22 H48 Cl4 Cr2 N8 O12F d d 218.599; 26.986; 14.042
90; 90; 90
7048Moon, Dohyun; Choi, Jong-Ha
Crystal structure of <i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)] diperchlorate from synchrotron data
Acta Crystallographica Section E, 2016, 72, 1417-1420
2241895 CIFC28 H26 N2 O2F d d 236.03; 24.2248; 10.1301
90; 90; 90
8841.7Chandrarekha, M.; Srinivasan, N.; Kottala Vijaya, P.; Siva, A.; Krishnakumar, R. V.
Crystal structures of 2'-benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one and 2'-(4-bromobenzoyl)-1'-(2-chlorophenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one
Acta Crystallographica Section E, 2016, 72, 1637-1641
2242310 CIF
HKL
C14 H12 N6 S4 ZnF d d 218.965; 41.216; 5.1117
90; 90; 90
3995.6Neumann, Tristan; Jess, Inke; Näther, Christian
Crystal structures of tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)
Acta Crystallographica Section E, 2018, 74, 141-146
2242696 CIF
HKL
Paper
C24 H40 Cl2 Mn N4F d d 217.6701; 30.9809; 10.1452
90; 90; 90
5553.8Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes
Acta Crystallographica Section E, 2018, 74, 1658-1664
2242697 CIF
HKL
C24 H40 Cl2 Fe N4F d d 217.5703; 30.9167; 10.111
90; 90; 90
5492.5Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes
Acta Crystallographica Section E, 2018, 74, 1658-1664
2242849 CIF
HKL
C16 H42 Br2 N4 Ni O3F d d 260.3649; 19.8364; 7.9773
90; 90; 90
9552.2Corfield, Peter W. R.; Goedken, Virgil L.
Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate
Acta Crystallographica Section E, 2019, 75, 332-337
2243187 CIF
HKL
Paper
C30 H44 O2 Si Zr2F d d 221.673; 28.296; 9.7466
90; 90; 90
5977Berg, David J.; Gajecki, Leah; Hill, Hunter; Twamley, Brendan
(μ-Di-<i>tert</i>-butylsilanediolato)bis[bis(η^5^-cyclopentadienyl)methylzirconium]
Acta Crystallographica Section E, 2019, 75, 1848-1852
2243619 CIF
HKL
Paper
C15 H19 N O3F d d 231.9834; 27.7358; 6.661
90; 90; 90
5908.9Koizumi, Take-aki; Takata, Toshikazu
Crystal structure of 2,6-bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate
Acta Crystallographica Section E, 2020, 76, 1737-1740
2243916 CIF
Paper
C73 H79.94 F2 Fe8 N9 O32.47F d d 231.676; 44.806; 12.6056
90; 90; 90
17891Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C.
Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)
Acta Crystallographica Section E, 2021, 77, 1003-1009
2310367 CIFC2 H4 Ca Na2 O8F d d 211.32; 20.06; 6
90; 90; 90
1362.47Corazza, E.; Sabelli, C.
The crystal structure of pirssonite, Ca Na2 (C O3)2 (H2 O)2
Acta Crystallographica (1,1948-23,1967), 1967, 23, 763-766
2310439 CIFCd H8 N2 O10F d d 25.828; 25.86; 11.002
90; 90; 90
1658.13Matkovic, B.; Ribar, B.; Zelenko, B.; Peterson, S.W.
Refinement of the Structure of Cd (N O3 2 (H2 O)4
Acta Crystallographica (1,1948-23,1967), 1966, 21, 719-725
2310478 CIFCl H5 N2F d d 212.49; 21.85; 4.41
90; 90; 90
1203.52Sakurai, K.; Tomiie, Y.
The crystal structure of hydrazinium chloride, N~2~H~5~Cl
Acta Crystallographica (1,1948-23,1967), 1952, 5, 293-294
2310503 CIFH10 N4 O17 ThF d d 211.182; 22.873; 10.573
90; 90; 90
2704.21Ueki, T.; Zalkin, A.; Templeton, D.H.
Crystal Structure of Thorium Nitrate Pentahydrate by X-ray Diffraction
Acta Crystallographica (1,1948-23,1967), 1966, 20, 836-841
2310829 CIFH4 N2 O2 SF d d 29.14; 16.85; 4.58
90; 90; 90
705.361Trueblood, K. N.; Mayer, S. W.
The crystal structure of sulfamide
Acta Crystallographica, 1956, 9, 628-634
2311489 CIF
Paper
C20 H26 I2 N4 O2F d d 220.8869; 22.4197; 9.6352
90; 90; 90
4512Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael
Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1<sup>3,8</sup>]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding.
Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1692-1695
2312108 CIF
HKL
C12 H13 N3 O2 SF d d 246.689; 12.2502; 8.2435
90; 90; 90
4714.9Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Jaskolski, Mariusz; Gzella, Andrzej K.
Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 220-232
2312163 CIF
HKL
Paper
C14 H14 N4 Se2 ZnF d d 237.3964; 18.478; 5.1164
90; 90; 90
3535.5Näther, Christian; Jess, Inke
Syntheses and crystal structures of bis-(4-methyl-pyridine-κ<i>N</i>)bis-(seleno-cyanato-κ<i>N</i>)zinc(II) and <i>catena</i>-poly[[bis-(4-methyl-pyridine-κ<i>N</i>)cadmium(II)]-di-μ-seleno-cyanato-κ<sup>2</sup> <i>N</i>:<i>Se</i>;κ<sup>2</sup> <i>Se</i>:<i>N</i>].
Acta crystallographica. Section E, Crystallographic communications, 2023, 79, 136-141
2312296 CIF
Paper
Al2 H4 Na2 O12 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas
Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data
Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439
2312297 CIF
Paper
Al2 H4 Na2 O12 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas
Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data
Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439
2312298 CIF
Paper
Al2 H4 Na2 O12 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas
Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data
Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439
2312299 CIF
Paper
Al2 H4 Na2 O12 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas
Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data
Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439
2312300 CIF
Paper
Al2 H4 Na2 O12 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas
Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data
Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439
2312373 CIF
HKL
C27 H28 N2 O7F d d 215.0989; 59.567; 10.954
90; 90; 90
9852Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312723 CIF
Paper
Al8 H16 Na8 O48 Si12F d d 218.634; 18.788; 6.8361
90; 90; 90
2393.3Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey
How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.
Acta crystallographica. Section C, Structural chemistry, 2025, 81
3000471 CIFC14 H10 O2F d d 215.213; 37.104; 3.805
90; 90; 90
2147.78Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit
Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction
Crystal Growth & Design, 2024, 24, 7222-7234
4000063 CIFC28 H20 Cd N2 O4F d d 220.6215; 36.4257; 6.2408
90; 90; 90
4687.79Chemistry of Materials, 2001
4000101 CIFC36 H29 N O4 ZnF d d 221.189; 28.212; 10.05
90; 90; 90
6007.7Chemistry of Materials, 2001
4000405 CIFMg Se4 Sn SrF d d 221.7601; 21.8585; 13.406
90; 90; 90
6376.5Chemistry of Materials, 2004
4000406 CIFSe4 Sn2 SrF d d 221.8916; 21.8933; 13.547
90; 90; 90
6492.8Chemistry of Materials, 2004
4000610 CIFC4 H5 Ag N4 O3F d d 219.9772; 39.3924; 3.539
90; 90; 90
2785.4Chemistry of Materials, 2005
4001224 CIFGa2 Ge Li S6F d d 211.943; 22.59; 6.805
90; 90; 90
1835.9Kim, Youngsik; Seo, In-seok; Martin, Steve W.; Baek, Jaewook; Shiv Halasyamani, P.; Arumugam, Nachiappan; Steinfink, Hugo
Characterization of New Infrared Nonlinear Optical Material with High Laser Damage Threshold, Li2Ga2GeS6
Chemistry of Materials, 2008, 20, 6048
4002144 CIFCa2 Ge Pd2F d d 210.0421; 15.3656; 5.5778
90; 90; 90
860.67Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.
Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability
Chemistry of Materials, 2015, 27, 304
4002156 CIFGa2 Ge Pb Se6F d d 247.135; 7.578; 12.161
90; 90; 90
4344Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan
PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals
Chemistry of Materials, 2015, 27, 914
4003053 CIFCd Nb O3.39 S0.11F d d 210.49049; 10.56034; 10.50156
90; 90; 90
1163.4Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.
Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx
Chemistry of Materials, 2019, 31, 7626
4003403 CIFC14 H24 I8 N2 O2 Pb3F d d 227.623; 54.155; 4.6034
90; 90; 90
6886.3Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.
General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium
Chemistry of Materials, 2018, 30, 8606

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