Crystallography Open Database

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2206547 CIF
HKL
Paper
C30 H31.88 N4.88 O4.5 ZnI b a 232.131; 9.7172; 18.918
90; 90; 90
5906.6Tong, Yi-Ping
Bis[2-(benzimidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II)‒bis[5-amino-2-(benzimidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II)‒ethanol‒water (0.56/0.44/2/0.5)
Acta Crystallographica Section E, 2005, 61, m1595-m1597
2206627 CIF
Paper
C30 H30.67 Br0.33 N5 O4.5 ZnI b a 232.459; 9.408; 19.053
90; 90; 90
5818.3Tong, Yi-Ping
Bis[2-(benzimidazol-2-yl)phenolato]zinc(II)‒[2-(benzimidazol-2-yl)phenolato][2-(benzimidazol-2-yl)-4-bromophenolato]zinc(II)‒ethanol‒water (0.67/0.33/2/0.5)
Acta Crystallographica Section E, 2005, 61, m1771-m1773
2207412 CIF
HKL
Paper
C24 H16 Cl Co N10 O4I b a 215.097; 10.989; 14.291
90; 90; 90
2371Xue-Yan Song; Xu-Da Wang; Yun-He Xu; Li-Cun Li
Diazidobis(1,10-phenanthroline)cobalt(III) perchlorate
Acta Crystallographica Section E, 2005, 61, m2649-m2650
2213908 CIF
HKL
Paper
C20 H20 Cu N4 O2 S4I b a 211.634; 12.983; 14.908
90; 90; 90
2251.8Mei, Guang-Quan; Huang, Ke-Long
{Dimethyl [2,2'-(ethane-1,2-diyldioxy)bis(benzylidenehydrazono)]bis(dithioformato)-κ^4^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>'}copper(II)
Acta Crystallographica Section E, 2007, 63, m1653-m1653
2215287 CIF
HKL
Paper
In Sb9 Sr11I b a 212.3885; 13.1003; 17.4966
90; 90; 90
2839.6Hullmann, Jonathan; Xia, Shengqing; Bobev, Svilen
Sr~11~InSb~9~ grown from molten In
Acta Crystallographica Section E, 2007, 63, i178-i178
2218906 CIF
HKL
Paper
C14 H19 N OI b a 29.862; 28.095; 8.664
90; 90; 90
2400.6Frey, Wolfgang; Schetter, Stefanie; Rominger, Frank; Hashmi, A. Stephen K.
A new polymorph of <i>N</i>-(prop-2-ynyl)tricyclo[3.3.1.1^3,7^]decane-1-carboxamide
Acta Crystallographica Section E, 2008, 64, o1495
2220670 CIF
HKL
Paper
C36 H45 Er N4 O8I b a 211.1542; 21.958; 14.1751
90; 90; 90
3471.8Xia, Hai-Tao; Rong, De-Fu; Zhang, Ying-Ying; Yang, Shu-Ping; Wang, Da-Qi
Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}erbium(III)
Acta Crystallographica Section E, 2009, 65, m198-m199
2220671 CIF
HKL
Paper
C36 H45 N4 O8 PrI b a 221.977; 11.1616; 14.1699
90; 90; 90
3475.9Xia, Hai-Tao; Liu, Yu-Fen; Yang, Shu-Ping; Wang, Da-Qi
Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}praeseodymium(III)
Acta Crystallographica Section E, 2009, 65, m200
2220672 CIF
HKL
Paper
C36 H45 N4 O8 TbI b a 221.885; 11.1407; 14.0928
90; 90; 90
3436Xia, Hai-Tao; Liu, Yu-Fen; Yang, Shu-Ping; Wang, Da-Qi
Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}terbium(III)
Acta Crystallographica Section E, 2009, 65, m201
2220678 CIF
HKL
Paper
C8 H12 Cu O7I b a 210.5512; 19.3389; 9.7435
90; 90; 90
1988.15Wang, Yun-Yun; Hu, Rui-Ding; Wang, Yan-Jun
<i>catena</i>-Poly[[diaquacopper(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato]
Acta Crystallographica Section E, 2009, 65, m169
2220966 CIF
HKL
Paper
C11 H17 Cl N2 OI b a 210.289; 31.5218; 7.5909
90; 90; 90
2461.9Zia-ur-Rehman; Tahir, M. Nawaz; Danish, Muhammad; Muhammad, Niaz; Ali, Saqib
4-(4-Methoxyphenyl)piperazin-1-ium chloride
Acta Crystallographica Section E, 2009, 65, o503
2221445 CIF
HKL
Paper
C16 H14 Cl N O2I b a 213.528; 29.616; 7.074
90; 90; 90
2834.2Chen, Ming-Jun; Yang, Hao; Dong, Wen-Liang; Zuo, Hua; Zhou, Jia-Zhou
7-Chloro-4-phenethyl-2<i>H</i>-1,4-benzoxazin-3(4<i>H</i>)-one
Acta Crystallographica Section E, 2009, 65, o712
2222148 CIF
HKL
Paper
C30 H38 O8I b a 215.336; 12.658; 14.755
90; 90; 90
2864.3Hu, Tuoping
2,2',4,4',6,6'-Hexamethylbiphenyl-3,3',5,5'-tetrayltetramethylene tetraacetate
Acta Crystallographica Section E, 2009, 65, o1355
2222725 CIF
HKL
Paper
C7 H10 N2 O2 SI b a 210.679; 22.431; 7.198
90; 90; 90
1724.2Ma, Xiang-Jun; Fang, Zheng; Ren, Li-Li; Wei, Ping
5-Amino-2-methylbenzenesulfonamide
Acta Crystallographica Section E, 2009, 65, o1815
2226328 CIF
HKL
Paper
C8 H12 Mn O7I b a 210.3513; 18.9903; 10.4899
90; 90; 90
2062.04Wang, Na; Feng, Jie; Wang, Dong-Hang; Lin, Qiu-Yue
<i>catena</i>-Poly[[diaquamanganese(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato]
Acta Crystallographica Section E, 2010, 66, m717
2228800 CIF
HKL
Paper
C28 H22 Cd Cl6 N4 O5I b a 219.618; 9.576; 17.517
90; 90; 90
3290.8Kim, Jin Hoon; Kim, Cheal; Kim, Youngmee
Poly[[bis[μ-1,2-bis(4-pyridyl)ethene]bis(trichloroacetato)cadmium(II)] monohydrate]
Acta Crystallographica Section E, 2011, 67, m3-m4
2230363 CIF
HKL
Paper
C32 H30 Cl Cu N9I b a 215.2859; 17.6577; 11.4818
90; 90; 90
3099.1Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian
Chloridotetrapyridinecopper(II) dicyanamidate pyridine disolvate
Acta Crystallographica Section E, 2011, 67, m695
2233664 CIF
HKL
Paper
C8 H12 Co O7I b a 210.3794; 18.983; 10.5021
90; 90; 90
2069.3Zhang, Fan; Lin, Qiu-Yue; Wang, Yong-Chang; He, Ji-Du
<i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]
Acta Crystallographica Section E, 2012, 68, m146
2238454 CIF
HKL
Paper
C34 H38 Cl2 Cu N4 O7I b a 215.9185; 19.2366; 11.5535
90; 90; 90
3537.9Bozkurt, Nihat; Tunç, Tuncay; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
Aquabis(3-chlorobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)copper(II)
Acta Crystallographica Section E, 2013, 69, m458-m459
2238905 CIF
Paper
C23 H30 N2 O4 SnI b a 210.8504; 22.2977; 20.3988
90; 90; 90
4935.3Qiao, Yanling; Wang, Fei
Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV)
Acta Crystallographica Section E, 2013, 69, m675
2239285 CIF
HKL
C19 H23 NI b a 210.1689; 43.141; 7.2658
90; 90; 90
3187.5Sathya, S.; Prathebha, K.; Usha, G.; Abdul Basheer, S.; Ponnuswamy, S.
3,5-Dimethyl-2,6-diphenylpiperidine
Acta Crystallographica Section E, 2014, 70, o404
2242892 CIF
HKL
Paper
C10 H13 N3 O SI b a 214.6474; 17.522; 8.9048
90; 90; 90
2285.4Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook
(<i>E</i>)-2-(2-Hydroxy-3-methylbenzylidene)-<i>N</i>-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H···S and C—H···π interactions
Acta Crystallographica Section E, 2019, 75, 571-575
2311115 CIF
Paper
C17 H13 NI b a 216.2444; 21.17; 7.2399
90; 90; 90
2489.76Abdoh, M. M. M.; Madan Kumar, S.; Vinay Kumar, K. S.; Manjunath, B. C.; Sadashiva, M. P.; Lokanath, N. K.
5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: ortho-rhom-bic polymorph.
Acta crystallographica. Section E, Structure reports online, 2013, 69, o17
4001698 CIFC8 H43 La3 O40 P4I b a 213.4677; 26.8557; 11.116
90; 90; 90
4020.5Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio
Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations
Chemistry of Materials, 2012, 24, 3780
4001700 CIFC8 H43 Ce3 O40 P4I b a 213.4033; 26.6912; 11.0963
90; 90; 90
3969.7Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio
Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations
Chemistry of Materials, 2012, 24, 3780
4003427 CIFC3 Al4 O16 P4I b a 214.79527; 27.36341; 8.34464
90; 90; 90
3378.32Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.
Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent
Chemistry of Materials, 2010, 22, 338
4003428 CIFC2 Al4 N O16 P4I b a 214.8022; 27.33066; 8.3487
90; 90; 90
3377.5Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.
Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent
Chemistry of Materials, 2010, 22, 338
4003429 CIFAl O4 PI b a 214.79668; 27.5248; 8.32555
90; 90; 90
3390.79Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.
Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent
Chemistry of Materials, 2010, 22, 338
4003430 CIFAl O4 PI b a 214.7696; 27.6372; 8.35796
90; 90; 90
3411.6Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.
Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent
Chemistry of Materials, 2010, 22, 338
4020906 CIFC13 H10 O3I b a 216.5752; 17.3959; 7.3023
90; 90; 90
2105.55Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura
Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate
Journal of Organic Chemistry, 2004, 69, 3408-3412
4022018 CIFC21 H16 OI b a 218.454; 22.937; 7.2039
90; 90; 90
3049.3Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang
A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran
Journal of Organic Chemistry, 2006, 71, 8291-8293
4024090 CIFC14 H17 N O2I b a 218.3485; 16.3317; 8.575
90; 90; 90
2569.6Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna
Synthesis of 2,3-Dihydro-10bH-oxazolo[2,3-a]isoquinolines from ortho-Lithiated Phenyloxazolinyloxiranes
Journal of Organic Chemistry, 2007, 72, 6316-6319
4027294 CIFC14 H9 Cl5 O3I b a 211.804; 37.23; 7.129
90; 90; 90
3133Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert
Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes
Journal of Organic Chemistry, 2012, 77, 5971-5981
4027295 CIFC14 H10 Cl4 O3I b a 211.6597; 34.37; 7.0803
90; 90; 90
2837.4Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert
Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes
Journal of Organic Chemistry, 2012, 77, 5971-5981
4030915 CIFC24 H20 Cu N4 O7 S2I b a 29.4874; 21.545; 13.164
90; 90; 90
2690.8Jovanovski, G.; Naumov, P.; Grupče, O.; Kaitner, B.
Structural study of monoaquabis(pyridine)bis(saccharinato)copper(II), [Cu(H~2~O)(py)~2~(sac)~2~]
European Journal of Solid State and Inorganic Chemistry, 1998, 35, 231-242
4033300 CIFC20 H27 N O3 S SiI b a 217.8601; 24.785; 9.4639
90; 90; 90
4189.3Wu, Weiming; Chen, Tianyu; Chen, Junjie; Han, Xiuling
Cationic Palladium(II)-Catalyzed Reductive Cyclization of Alkynyl Cyclohexadienones.
The Journal of organic chemistry, 2017
4034789 CIFC30 H30 F8 N2 O3I b a 231.1008; 15.905; 22.8099
90; 90; 90
11283.1Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien
[2]Catenanes Displaying Switchable Gin-Trap-Like Motion.
The Journal of organic chemistry, 2018, 83, 5619-5628
4036208 CIFC48 H24I b a 227.352; 28.721; 8.0562
90; 90; 90
6328.8Geng, Xin; Mague, Joel T.; Pascal, Jr, Robert A
Tribenzodecacyclene and hexabenzodecacyclene.
The Journal of organic chemistry, 2015, 80, 4824-4827
4037665 CIFC2 H3 N5 O2I b a 210.2622; 14.125; 6.684
90; 90; 90
968.9Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.
The Journal of organic chemistry, 2019
4038362 CIFC30 H22 N2 O2 Se2I b a 216.643; 21.249; 14.381
90; 90; 90
5085.8Liu, Zhengfen; Jiang, Yonggang; Liu, Chunxiang; Zhang, Linlin; Wang, Jing; Li, Tiantian; Zhang, Hongbin; Li, Minyan; Yang, Xiaodong
Metal-free Synthesis of Phenol-Aryl Selenides via Dehydrogenative C-Se Coupling of Aryl Selenoxides with Phenols.
The Journal of organic chemistry, 2020
4060235 CIFC5 H7 O2 TlI b a 211.3256; 20.6199; 5.3836
90; 90; 90
1257.25Organometallics, 2004
4062178 CIFC28 H26 O2 SnI b a 217.662; 40.678; 6.6149
90; 90; 90
4752.4Organometallics, 2003
4063510 CIFC17 H21 Cl N O RhI b a 214.512; 16.715; 13.66
90; 90; 90
3313.5Boutadla, Youcef; Al-Duaij, Omar; Davies, David L.; Griffith, Gerald A.; Singh, Kuldip
Mechanistic Study of Acetate-Assisted C‒H Activation of 2-Substituted Pyridines with [MCl2Cp*]2(M = Rh, Ir) and [RuCl2(p-cymene)]2
Organometallics, 2009, 28, 433-440
4063513 CIFC17 H21 Cl Ir N OI b a 214.227; 16.654; 13.727
90; 90; 90
3252.4Boutadla, Youcef; Al-Duaij, Omar; Davies, David L.; Griffith, Gerald A.; Singh, Kuldip
Mechanistic Study of Acetate-Assisted C‒H Activation of 2-Substituted Pyridines with [MCl2Cp*]2(M = Rh, Ir) and [RuCl2(p-cymene)]2
Organometallics, 2009, 28, 433-440
4064761 CIFC39 H51 Cl2 O4 P ZrI b a 237.906; 10.3445; 19.7199
90; 90; 90
7732.5Liu, Jing-Yu; Liu, San-Rong; Li, Bai-Xiang; Li, Yan-Guo; Li, Yue-Sheng
Synthesis and Characterization of Novel Half-Metallocene-Type Group IV Complexes Containing Phosphine Oxide‒Phenolate Chelating Ligands and Their Application to Ethylene Polymerization
Organometallics, 2011, 30, 4052
4065152 CIFC104 H120 F72 Hg6 N34 P12I b a 230.443; 18.8901; 29.089
90; 90; 90
16728Rit, Arnab; Pape, Tania; Hahn, F. Ekkehardt
Polynuclear Architectures with Di- and Tricarbene Ligands
Organometallics, 2011, 30, 6393
4066430 CIFC35 H32 N2I b a 211.3797; 13.7855; 17.0064
90; 90; 90
2667.88Enk, Barbara; Eisenstecken, Daniela; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Pevny, Florian; Winter, Rainer F.; Bildstein, Benno
Doubly N-Functionalized Pentafulvenes and Redox-Responsive [N,N]- and [N,C,N]-Pincer Bis(imidoyl)pentamethylruthenocene Metalloligands
Organometallics, 2010, 29, 3169
4067092 CIFC70 H112 Cu4 N8 Si2 Ti6I b a 218.459; 30.104; 29.388
90; 90; 90
16331Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E. G.; Pérez-Redondo, Adrián; Yélamos, Carlos
Cyclopentadienyl and Alkynyl Copper(I) Derivatives with the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand
Organometallics, 2010, 29, 6732
4068729 CIFC180 H250 Cl8 N8 O13 Zr4I b a 228.4938; 17.8978; 17.8233
90; 90; 90
9089.5Cohen, Ad; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe
C1-Symmetric Zirconium Complexes of [ONNO′]-Type Salan Ligands: Accurate Control of Catalyst Activity, Isospecificity, and Molecular Weight in 1-Hexene Polymerization
Organometallics, 2009, 28, 1391
4070221 CIFC17 H24 Br2 N4 PdI b a 216.9297; 24.8457; 9.6732
90; 90; 90
4068.8Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An
13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)
Organometallics, 2009, 28, 5395

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