Crystallography Open Database

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1505897 CIFC12 H20 N4I b c a11.277; 11.841; 19.771
90; 90; 90		2640Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro
Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.
Organic letters, 2006, 8, 1577-1579
1511447 CIFB Ba3 O12 P3I b c a22.211; 14.296; 7.102
90; 90; 90		2255.09Goezel, G.; Eisenmann, B.; Kizilyalli, M.; Kniep, R.; Roehr, C.; Asbrand, M.
Borophosphate - eine vernachlaessigte Verbindungsklasse: Die Kristallstrukturen von M(II) (B P O5) (M(II)= Ca, Sr) und Ba3 (B P3 O12)
Angewandte Chemie (German Edition), 1994, 106, 791-793
1514834 CIFC18.87 H19.16 N2 O2 ZnI b c a13.9562; 23.5904; 23.5858
90; 90; 90		7765.2He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming
A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds
Chemical Science, 2013, 4, 351
1514835 CIFC12 H10 N2 O2 ZnI b c a13.9249; 23.653; 23.637
90; 90; 90		7785.2He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming
A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds
Chemical Science, 2013, 4, 351
1526589 CIFAl1.84 H4 Li1.29 Na0.518 O14 Si4.16I b c a13.546; 13.546; 13.557
90; 90; 90		2487.63Seryotkin, Yu.V.; Bakakin, V.V.; Bazhan, I.S.
Crystal structure of lithium-sodium (Li0.7 Na0.3)-analcime
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 2001, 42, 607-611
1530400 CIFBr2 Nb3 Se10I b c a14.205; 23.7219; 38.243
90; 90; 90		12886.7Meerschaut, A.; Grenouilleau, P.; Guemas, L.; Rouxel, J.
Characterization of a mixed-chains one-dimensional compound
Journal of Solid State Chemistry, 1987, 70, 36-47
1535987 CIFLi4 N3 TaI b c a4.915; 9.731; 14.145
90; 90; 90		676.525Niewa, R.; Zherebtsov, D.A.; Borrmann, H.; Kniep, R.
Preparation and crystal structure of Li4 (Ta N3)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 2505-2508
1541106 CIFAl0.9999 Na O6 Si1.9998I b c a13.72; 13.715; 13.708
90; 90; 90		2579.43Pechar, F.
An x-ray diffraction refinement of the crystal structure of natural orthorhombic analcime ((Na Al Si2 O6) (H2 O))
Zeolites, 1988, 8, 247-249
1559294 CIFC44 H32 F12 N4 P2I b c a17.9121; 22.9333; 22.1479
90; 90; 90		9098Kodama, Takuya; Kubo, Maiko; Shinji, Wataru; Ohkubo, Kei; Tobisu, Mamoru
Phenylene-bridged bis(benzimidazolium) (BBIm2+): a dicationic organic photoredox catalyst
Chemical Science, 2020
1560699 CIFC29 H19 N3 Ni O6I b c a19.6025; 23.5274; 25.9223
90; 90; 90		11955.3Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing
Design and construction of diverse structures of coordination polymers: Photocatalytic properties
Journal of Solid State Chemistry, 2017, 245, 213-218
1563758 CIFC80 H96 B4 F16 N34 Ni2I b c a19.9782; 29.8827; 37.7594
90; 90; 90		22542.5Singh, Sandhya; Brooker, Sally
Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates
Chemical Science, 2021
2004759 CIF
Paper		C27 H24 F12 N12 O P2 RuI b c a12.007; 18.708; 31.213
90; 90; 90		7011Breu, J.; Belser, P.; Yersin, H.
Tris(4,4'-bipyrimidine)ruthenium(II) Bis(hexafluorophosphate) Acetone Solvate
Acta Crystallographica Section C, 1996, 52, 858-861
2011647 CIF
HKL
Paper		C98 H83 Ag B N P4I b c a21.763; 22.955; 30.767
90; 90; 90		15370Ellis, Dianne D.; Spek, Anthony L.
Tetrakis(triphenylphosphine)silver(I) tetraphenylborate acetonitrile solvate
Acta Crystallographica Section C, 2000, 56, e547-e548
2017049 CIF
HKL
Paper		C26 H52 Cl2 N2 P2 PtI b c a14.9247; 19.0706; 20.8432
90; 90; 90		5932.5Bungu, Peter N.; Otto, Stefanus
<i>cis</i>-Dichloridobis{dimethyl[3-(9-phosphabicyclo[3.3.1]non-9-yl)propyl]amine-κ<i>P</i>}platinum(II)
Acta Crystallographica Section C, 2009, 65, m152-m155
2019682 CIF
HKL
Paper		C20 H18 Cd N4 O4I b c a14.7042; 14.0074; 37.95
90; 90; 90		7816.5Li, Qiang; Wang, Hui-Ting; Ye, Qiong
One- and two-dimensional Cd^II^ coordination polymers constructed from 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate ligands
Acta Crystallographica Section C, 2014, 70, 992-997
2022084 CIF
HKL
Paper		C23 H20 Co N4 O5I b c a17.1976; 16.7629; 16.3162
90; 90; 90		4703.7Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue
3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures
Acta Crystallographica Section C, 2020, 76
2023002 CIF
HKL
Paper		Gd K2 Mo O8 PI b c a6.9527; 19.7112; 12.2466
90; 90; 90		1678.35Zozulia, Valeriia; Terebilenko, Kateryna; Voinalovych, Artem; Potaskalov, Vadim; Slobodyanik, Mykola
Crystal structure of a layered phosphate molybdate K<sub>2</sub>Gd(PO<sub>4</sub>)(MoO<sub>4</sub>).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 117-119
2106745 CIFBi P S4I b c a10.601; 11.112; 19.661
90; 90; 90		2316.03Zimmermann, H.; Nitsche, R.; Carpentier, C.D.
The crystal structure of bismuth thiophosphate Bi P S4
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2003-2006
2203989 CIF
HKL
Paper		C40 H32 Cd2 N8 O12 V4I b c a16.287; 17.201; 34.07
90; 90; 90		9545Xian-Zhong Sun; Bao-Yu Wang; Ling-Yun Zhong
μ-Tetravanadato-bis[bis(2,2'-bipyridine)cadmium(II)]
Acta Crystallographica Section E, 2004, 60, m1100-m1102
2204393 CIF
Paper		C8 H8 N2 O7I b c a7.128; 13.46; 19.731
90; 90; 90		1893.1Sun, Yu-Xi; Nie, Yi
Ammonium 2,6-dicarboxyl-4-nitrophenol
Acta Crystallographica, Section E, 2004, 60, m1742-m1744
2204596 CIF
HKL
Paper		C34 H32 N4I b c a16.6732; 16.674; 39.267
90; 90; 90		10917Jun-Wen Wang; Hai-Bin Song; Feng-Bo Xu; Qing-Shan Li; Zheng-Zhi Zhang
1,2-Bis(3,5-dimethylpyrazol-1-yl)-<i>anti</i>-[2.2]paracyclonaphthane
Acta Crystallographica Section E, 2004, 60, o2047-o2049
2205402 CIF
HKL
Paper		C16 H20 Cl2 N2 TeI b c a16.0504; 16.4302; 26.5331
90; 90; 90		6997.1Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra
An orthorhombic polymorph of dichlorobis[4-(dimethylamino)phenyl]tellurium
Acta Crystallographica Section E, 2005, 61, o986-o987
2206078 CIF
HKL
Paper		C24 H16 N10 ZnI b c a13.7823; 17.5908; 18.1368
90; 90; 90		4397.1Sun, Bai-Wang; Du Lin
Diazidobis(1,7-phenanthroline)zinc(II)
Acta Crystallographica Section E, 2005, 61, m1099-m1100
2207386 CIF
HKL
Paper		C16 H20 N4 O S2I b c a13.1962; 15.049; 18.124
90; 90; 90		3599.2Ya-Jie Xie
1,1'-Dimethyl-2,2'-[<i>p</i>-phenylenebis(methylenethio)]di-1<i>H</i>-imidazole monohydrate
Acta Crystallographica Section E, 2005, 61, o3538-o3539
2210404 CIF
HKL
Paper		Bi K2 O8 P WI b c a19.7253; 12.4764; 7.0284
90; 90; 90		1729.69Igor V. Zatovsky; Katherina V. Terebilenko; Nikolay S. Slobodyanik; Vyacheslav N. Baumer; Oleg V. Shishkin
K~2~Bi(PO~4~)(WO~4~) with a layered anionic substructure
Acta Crystallographica Section E, 2006, 62, i193-i195
2213016 CIF
HKL
Paper		C22 H17 N3 O7I b c a15.4932; 19.406; 27.424
90; 90; 90		8245.3Yang-Gen Hu; Gui-Hua Li; Ming-Hua Zhou
Ethyl 6-methyl-2-(3-nitrophenoxy)-4-oxo-3-phenyl-3,4-dihydrofuro[2,3-<i>d</i>]pyrimidine-5-carboxylate
Acta Crystallographica Section E, 2007, 63, o1836-o1838
2220020 CIF
HKL
Paper		Ho K2 O8 P WI b c a6.882; 12.1485; 19.695
90; 90; 90		1646.6Terebilenko, Katherina V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.
K~2~Ho(PO~4~)(WO~4~)
Acta Crystallographica Section E, 2008, 64, i75
2222979 CIF
HKL
Paper		Bi Cs2 O8 P WI b c a21.3144; 12.6352; 7.1412
90; 90; 90		1923.21Terebilenko, Kateryna V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.
Cs~2~Bi(PO~4~)(WO~4~)
Acta Crystallographica Section E, 2009, 65, i67
2224051 CIF
HKL
Paper		K2 Mo O8 P SmI b c a12.345; 7.004; 19.733
90; 90; 90		1706Zhao, Dan; Li, Feifei; Cheng, Wendan; Zhang, Hao
Dipotassium samarium(III) molybdate(VI) phosphate(V), K~2~Sm(MoO~4~)(PO~4~)
Acta Crystallographica Section E, 2009, 65, i78
2226969 CIF
HKL
Paper		C40 H27 K N4 O8I b c a17.8679; 18.3617; 20.5162
90; 90; 90		6731.1Ng, Seik Weng
(Quinoline-2-carboxylato-κ<i>O</i>)(quinoline-2-carboxylic acid-κ<i>O</i>)bis(quinoline-2-carboxylic acid-κ^2^<i>N</i>,<i>O</i>)potassium
Acta Crystallographica Section E, 2010, 66, m948
2228140 CIF
HKL
Paper		C14 H19 N3 O2 SI b c a14.1747; 25.1439; 17.4381
90; 90; 90		6215.07Zhang, Yan-Ling; Hou, Xu-Feng; Zhang, Fu-Juan; Yang, Feng-Ling
Ethyl 3-[2-(<i>p</i>-tolylcarbamothioyl)hydrazinylidene]butanoate
Acta Crystallographica Section E, 2010, 66, o2971
2230193 CIF
HKL
Paper		C14 H19 N3 SI b c a14.9151; 22.5593; 17.1642
90; 90; 90		5775.3Zhang, Yan-Ling; Zhang, Xiao-Wei; Zhang, Fu-Juan
3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea
Acta Crystallographica Section E, 2011, 67, o1268
2230957 CIF
HKL
Paper		C6 H5 N3 O8I b c a7.151; 19.8082; 13.5061
90; 90; 90		1913.12Jin, Shou-Wen; Chen, Bing-Xia; Ge, Yu-Shuang; Yin, Hua-Bing; Fang, Yu-Ping
Oxonium picrate
Acta Crystallographica Section E, 2011, 67, o1694
2233009 CIF
HKL
Paper		C18 H30 Co O16I b c a10.6238; 13.6271; 33.318
90; 90; 90		4823.5Han, Li-Jun; Yang, Shu-Ping; Fu, Lin-Lin; Gao, Hai-Lei
Hexaaquacobalt(II) bis(5-acetyl-2-hydroxybenzoate) dihydrate
Acta Crystallographica Section E, 2011, 67, m1733
2234202 CIF
HKL
Paper		C25 H25 F N4 O SI b c a17.921; 18.427; 27.114
90; 90; 90		8954Hu, Hai-Jun; Chen, Hong
7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one
Acta Crystallographica Section E, 2012, 68, o1097
2237706 CIF
HKL
Paper		C12 H8 Ba O5I b c a8.9643; 30.539; 8.9625
90; 90; 90		2453.6Zhao, Dan; Li, Fei Fei; Liang, Peng; Ren, Jun-Ran; Qiu, Shen
Poly[μ-aqua-aqua-μ~4~-naphthalene-1,8-dicarboxylato-barium]: a layer structure
Acta Crystallographica Section E, 2013, 69, m219-m220
2240516 CIF
HKL
Paper		C22 H26 Co F6 N4 O4 PI b c a13.9848; 14.6221; 22.2177
90; 90; 90		4543.2McLauchlan, Craig C.; Kissel, Daniel S.; Herlinger, Albert W.
Crystal structure of {2,2'-[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)cyclohexane-<i>trans</i>-1,2-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate
Acta Crystallographica Section E, 2015, 71, 380-384
2241737 CIF
HKL		C52 H42 N8 O2 SiI b c a10.9239; 25.7282; 33.2065
90; 90; 90		9332.8Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.
Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed
Acta Crystallographica Section E, 2016, 72, 988-994
2310411 CIFH18 Na2 O12 SiI b c a11.74; 17.03; 11.6
90; 90; 90		2319.21Jamieson, P.B.; Dent Glasser, L.S.
Sodium Silicate Hydrates. II. The Crystal Structure of Na2 O (Si O2) (H2 O)9
Acta Crystallographica (1,1948-23,1967), 1966, 20, 688-693
4001943 CIFC153 H169 In6 N27 O63I b c a32.092; 34.184; 34.184
90; 90; 90		37501Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.
Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family
Chemistry of Materials, 2014, 26, 2943
4025495 CIFC32 H24 N2I b c a6.79; 20.97; 35.56
90; 90; 90		5063Masahiro Yoshimura; Toshimitsu Muraoka; Hiroshi Nakatsuka; Hanmin Huang; Masato Kitamura
Synthesis of 3,3'-Diaryl-Substituted 2,2'-Diamino-1,1'-binaphthyl and Its Derivatives
Journal of Organic Chemistry, 2010, 75, 4315-4318
4032432 CIFC14 H12 F4 N3 O2I b c a10.4901; 10.6393; 26.13
90; 90; 90		2916.3Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.
Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.
The Journal of organic chemistry, 2017, 82, 4179-4185
4032433 CIFC14 H12 F4 N3 OI b c a10.3528; 10.8047; 26.1688
90; 90; 90		2927.21Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.
Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.
The Journal of organic chemistry, 2017, 82, 4179-4185
4068983 CIFC22 H62 B2 O P2 Si4 SnI b c a16.22; 20.048; 21.707
90; 90; 90		7059Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.
Seven-Membered Cyclic Dialkylstannylene and -Plumbylene Compounds Stabilized by Agostic-type B−H···E Interactions [E = Sn, Pb]
Organometallics, 2009, 28, 2211
4071294 CIFC46 H71 B Fe O2 P4I b c a17.3563; 22.1987; 24.0438
90; 90; 90		9263.8Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.
Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2
Organometallics, 2008, 27, 2092
4071481 CIFC52 H70 N4 Na2 Zn2I b c a22.42; 22.883; 41.069
90; 90; 90		21070Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca
Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†
Organometallics, 2008, 27, 2654
4072326 CIFC36 H60 B4 Cl2 N4 Y2I b c a8.7156; 29.666; 32.126
90; 90; 90		8306Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei
Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement
Organometallics, 2008, 27, 6307
4083469 CIFC66 H90 B2 F8 N6 O6 Pt2I b c a18.6165; 27.4048; 28.0783
90; 90; 90		14325Au, Richard H. W.; Fraser, Christopher S. A.; Eisler, Dana J.; Jennings, Michael C.; Puddephatt, Richard J.
Binuclear Organoplatinum(IV) Complexes with Bridging Xylenediyl Groups: Formation of Supramolecular Polymers through Hydrogen Bonding
Organometallics, 2009, 28, 1719
4100571 CIFC289 H244 Cd32 N2 P2 S52I b c a26.3539; 34.515; 73.258
90; 90; 90		66636Journal of the American Chemical Society, 2005
4106688 CIFC40 H88 N4 O19 V6I b c a20.8395; 23.0194; 24.8572
90; 90; 90		11924.3Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu
Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties
Journal of the American Chemical Society, 2011, 133, 14010-14016

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