Crystallography Open Database

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2018070 CIF
HKL
Paper
C11 H26 N O7 PP -17.064; 8.475; 13.966
102.48; 92.58; 99.96
801.1Ślepokura, Katarzyna; Mitaszewska, Irmina
Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal
Acta Crystallographica Section C, 2011, 67, o161-o165
2018071 CIF
HKL
Paper
C11 H24 N O6 PP 21 21 216.678; 8.877; 24.93
90; 90; 90
1477.9Ślepokura, Katarzyna; Mitaszewska, Irmina
Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal
Acta Crystallographica Section C, 2011, 67, o161-o165
2018072 CIF
HKL
Paper
C5 H11 O6 PP -16.859; 7.114; 8.939
89.13; 76; 81.18
418.1Ślepokura, Katarzyna; Mitaszewska, Irmina
Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal
Acta Crystallographica Section C, 2011, 67, o161-o165
2018073 CIF
HKL
Paper
C33 H29 N5 O10P 21 21 218.2526; 11.9486; 32.1865
90; 90; 90
3173.81Pan, Mei-Ying; Wu, Xiao-Hua; Luo, Dai-Bing; Huang, Wen; He, Yang
A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure
Acta Crystallographica Section C, 2011, 67, o175-o178
2018074 CIF
HKL
Paper
Fe2 H6 O15 S3P 1 21/c 111.281; 6.336; 16.278
90; 102.676; 90
1135.1Xu, Wenqian; Parise, John B.
Synthetic ferric sulfate trihydrate, Fe~2~(SO~4~)~3~·3H~2~O, a new ferric sulfate salt
Acta Crystallographica Section C, 2011, 67, i30-i32
2018075 CIF
Paper
C18 H20 Cd N6 O4P 1 21/c 19.8072; 17.1235; 14.6837
90; 129.866; 90
1892.68Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing
A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]
Acta Crystallographica Section C, 2011, 67, m137-m139
2018076 CIF
Paper
C9 H8 O3 SP 1 21/n 113.3928; 5.1432; 14.6577
90; 112.646; 90
931.81Rukiah, Mwaffak; Al-Ktaifani, Mahmoud
2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies
Acta Crystallographica Section C, 2011, 67, o166-o170
2018077 CIF
Paper
C13 H11 N O5 SP -16.51605; 8.52612; 12.9191
84.3274; 80.5788; 69.19
661.225Rukiah, Mwaffak; Al-Ktaifani, Mahmoud
2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies
Acta Crystallographica Section C, 2011, 67, o166-o170
2018078 CIF
HKL
Paper
C15 H16 N2 OP 21 21 216.0318; 8.3396; 25.361
90; 90; 90
1275.7Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
(2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol: a three-dimensional framework built from O—H···N, C—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section C, 2011, 67, o157-o160
2018079 CIF
HKL
Paper
C4 H6 N4 OP 1 21/c 17.715; 9.7229; 7.4514
90; 114.453; 90
508.81Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C, 2011, 67, o179-o187
2018080 CIF
HKL
Paper
C8 H16 N5.33 O2.67P 1 21 17.4417; 25.3217; 9.8578
90; 108.476; 90
1761.8Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C, 2011, 67, o179-o187
2018081 CIF
HKL
Paper
C8 H15 N5 O2C 1 c 119.1494; 7.8704; 14.9104
90; 104.868; 90
2172Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C, 2011, 67, o179-o187
2018082 CIF
HKL
Paper
C23 H39 N11 O5P -18.455; 10.0803; 17.0735
75.558; 78.222; 81.363
1371.9Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C, 2011, 67, o179-o187
2018083 CIF
HKL
Paper
C14 H23 N7 O3P -17.8763; 9.6078; 12.3115
108.78; 95.194; 99.959
858Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C, 2011, 67, o179-o187
2018084 CIF
HKL
Paper
C15 H23 N7 O3P -17.3321; 9.8805; 12.586
102.835; 98.83; 91.555
876.7Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C, 2011, 67, o179-o187
2018085 CIF
HKL
Paper
C38 H78 Cl2 N6 O2 P2 SnP 1 21/n 112.0882; 25.1607; 15.8103
90; 108.879; 90
4550Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.
The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes
Acta Crystallographica Section C, 2011, 67, m160-m164
2018086 CIF
HKL
Paper
C72 H148 Cu N14 O12 P4P 1 21/n 115.4495; 18.6924; 16.5229
90; 116.656; 90
4264.5Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.
The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes
Acta Crystallographica Section C, 2011, 67, m160-m164
2018087 CIF
HKL
Paper
C30 H35 Cu2 N6 O18.5 P4P -111.2894; 13.539; 13.606
73.915; 78.438; 74.41
1906.8Perec, Mireille; Baggio, Ricardo
Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)] 4.5-hydrate
Acta Crystallographica Section C, 2011, 67, m140-m144
2018088 CIF
HKL
Paper
C16 H24 Cl4 N2 ZnP n a 2110.6623; 25.395; 7.4167
90; 90; 90
2008.2Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif
Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ^13^C CP‒MAS NMR spectroscopy
Acta Crystallographica Section C, 2011, 67, m126-m129
2018089 CIF
HKL
Paper
C29 H50 O6P 1 21 112.5606; 8.0425; 13.9139
90; 102.002; 90
1374.84Kalf, Irmgard; Englert, Ulli
The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate
Acta Crystallographica Section C, 2011, 67, o206-o208
2018090 CIF
HKL
Paper
C43 H80 Cr K2 N6 O17P 111.034; 11.741; 12.818
63.883; 66.841; 86.82
1356.9Zhai, Jun; Xu, Li
The pentacoordinated [Cr(CO)~5~]^2{-^} dianion in [2,2,2-crypt-K]~2~[Cr(CO)~5~] ethylenediamine monosolvate
Acta Crystallographica Section C, 2011, 67, m202-m204
2018091 CIF
HKL
Paper
C8 H14 Cl3 Cu N OC 1 2/m 115.4606; 9.2495; 8.4159
90; 104.27; 90
1166.36Nalla, Sowjanya; Bond, Marcus R.
[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
Acta Crystallographica Section C, 2011, 67, m185-m194
2018092 CIF
HKL
Paper
C8 H14 Cl3 Cu N OC 1 2/m 115.6883; 9.2405; 8.5073
90; 103.521; 90
1199.1Nalla, Sowjanya; Bond, Marcus R.
[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
Acta Crystallographica Section C, 2011, 67, m185-m194
2018093 CIF
HKL
Paper
C7 H12 Cl3 Cu N OC 1 2/m 115.1429; 8.8854; 8.5918
90; 104.262; 90
1120.4Nalla, Sowjanya; Bond, Marcus R.
[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
Acta Crystallographica Section C, 2011, 67, m185-m194
2018094 CIF
HKL
Paper
C7 H12 Cl3 Cu N OC 1 2/m 115.3144; 8.8708; 8.7761
90; 103.967; 90
1156.99Nalla, Sowjanya; Bond, Marcus R.
[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
Acta Crystallographica Section C, 2011, 67, m185-m194
2018095 CIF
HKL
Paper
C7 H12 Cl3 Cu N OP -18.8088; 8.7803; 8.757
74.101; 76.513; 59.895
559.77Nalla, Sowjanya; Bond, Marcus R.
[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
Acta Crystallographica Section C, 2011, 67, m185-m194
2018096 CIF
HKL
Paper
C7 H12 Cl3 Cu N OP -18.8369; 8.8282; 8.941
74.628; 77.056; 59.517
576.23Nalla, Sowjanya; Bond, Marcus R.
[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
Acta Crystallographica Section C, 2011, 67, m185-m194
2018097 CIF
HKL
Paper
C7 H18 Cl3 Cu N OP 1 21/c 110.1958; 7.608; 16.3281
90; 102.927; 90
1234.46Nalla, Sowjanya; Bond, Marcus R.
[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
Acta Crystallographica Section C, 2011, 67, m185-m194
2018098 CIF
HKL
Paper
C7 H18 Cl3 Cu N OP 1 21/c 110.3459; 7.6409; 16.5616
90; 103.746; 90
1271.73Nalla, Sowjanya; Bond, Marcus R.
[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
Acta Crystallographica Section C, 2011, 67, m185-m194
2018099 CIF
Paper
C18 H17 Cl3 Cu3 Gd N3 O8.5P 1 21/c 19.5388; 12.6589; 21.4
90; 98.539; 90
2555.4Wu, Shuhong
A novel three-dimensional heterometallic coordination polymer: poly[[diaquadi-μ~3~-chlorido-μ~2~-chlorido-tri-μ~3~-nicotinato-tricopper(I)gadolinium(III)] hemihydrate]
Acta Crystallographica Section C, 2011, 67, m211-m214
2018100 CIF
HKL
Paper
C64 H68 Cd2 Cl2 N12 O20P 1 21/n 17.4436; 19.0015; 23.7517
90; 91.686; 90
3357.98Gao, Junlin; Wang, Jun; Nie, Jianhua
μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine-κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate: a novel supramolecular system constructed by π–π and hydrogen-bonding interactions
Acta Crystallographica Section C, 2011, 67, m181-m184
2018101 CIF
Paper
C4 H10 Cl2 N10 PtP 21 21 218.37465; 11.93209; 12.61875
90; 90; 90
1260.95Ivashkevich, Ludmila S.; Serebryanskaya, Tatyana V.; Lyakhov, Alexander S.; Gaponik, Pavel N.
An X-ray powder diffraction study of <i>cis</i>-dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine-κ<i>N</i>^4^)platinum(II), a tetrazole-containing analogue of cisplatin
Acta Crystallographica Section C, 2011, 67, m195-m198
2018102 CIF
HKL
Paper
C10 H16 Cl5 Cu3 N4 Se2C 1 2/c 112.238; 12.217; 14.123
90; 108.61; 90
2001.1Kimani, Martin M.; VanDerveer, Don; Brumaghim, Julia L.
The diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) dication stabilized by the polymeric <i>catena</i>-pentachloridotricuprate(I) anion
Acta Crystallographica Section C, 2011, 67, m208-m210
2018103 CIF
HKL
Paper
C22 H42 N12 O12 Pd2P 1 21/n 110.7697; 8.0282; 19.6442
90; 102.323; 90
1659.33Seidel, Rüdiger W.; Oppel, Iris M.
μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^-bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate
Acta Crystallographica Section C, 2011, 67, m199-m201
2018104 CIF
HKL
Paper
C17 H16 N2 O3C 1 2/c 117.6547; 9.864; 33.3982
90; 101.56; 90
5698.2Bats, Jan W.; Brüning, Jürgen; Schmidt, Martin U.
1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains
Acta Crystallographica Section C, 2011, 67, o212-o218
2018105 CIF
HKL
Paper
C17 H16 N2 O3C 1 2/c 117.6547; 9.864; 32.7904
90; 93.733; 90
5698.2Bats, Jan W.; Brüning, Jürgen; Schmidt, Martin U.
1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains
Acta Crystallographica Section C, 2011, 67, o212-o218
2018106 CIF
Paper
C6 H5 O7 P S Sn2P -17.0045; 8.487; 10.057
81.1; 86.17; 75.25
571Maniam, Palanikumar; Stock, Norbert
A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters. Corrigendum
Acta Crystallographica Section C, 2011, 67, e14
2018107 CIF
HKL
Paper
Mo4.24 O16 Pb3.76I -45.442; 5.442; 12.1177
90; 90; 90
358.87Cora, Ildikó; Czugler, Mátyás; Dódony, István; Rečnik, Aleksander
On the symmetry of wulfenite (Pb[MoO~4~]) from Mežica (Slovenia)
Acta Crystallographica Section C, 2011, 67, i33-i35
2018108 CIF
HKL
Paper
C24 H23 N O5P 1 21/c 17.6516; 14.781; 17.8063
90; 95.8175; 90
2003.49Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc
Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide
Acta Crystallographica Section C, 2011, 67, o201-o205
2018109 CIF
HKL
Paper
C24 H21 N O3P -19.6722; 10.014; 11.5677
71.422; 84.479; 67.753
982.6Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc
Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide
Acta Crystallographica Section C, 2011, 67, o201-o205
2018110 CIF
HKL
Paper
C9 H11 O4 PP 21 21 215.4948; 8.683; 21.3724
90; 90; 90
1019.71Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi
Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid
Acta Crystallographica Section C, 2011, 67, o195-o197
2018111 CIF
HKL
Paper
C9 H11 O4 PP 21 21 216.1741; 8.7308; 19.844
90; 90; 90
1069.7Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi
Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid
Acta Crystallographica Section C, 2011, 67, o195-o197
2018112 CIF
HKL
Paper
C6 H6 O SP b c a14.592; 5.5108; 15.106
90; 90; 90
1214.7Rozycka-Sokolowska, Ewa; Borowski, Andrzej; Marciniak, Bernard
1-(Thiophen-3-yl)ethanone
Acta Crystallographica Section C, 2011, 67, o209-o211
2018113 CIF
HKL
Paper
C28 H24 N4 O3P 1 21/n 112.479; 11.452; 16.776
90; 98.766; 90
2369.4Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)
Acta Crystallographica Section C, 2011, 67, m176-m180
2018114 CIF
HKL
Paper
C29 H28 Cl2 Hg N4 O4P -18.8422; 12.927; 13.066
95.232; 97.758; 99.318
1450.5Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)
Acta Crystallographica Section C, 2011, 67, m176-m180
2018115 CIF
HKL
Paper
C29 H28 Br2 Hg N4 O4P -18.8247; 12.9673; 13.0197
95.747; 99.101; 98.902
1441.5Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)
Acta Crystallographica Section C, 2011, 67, m176-m180
2018116 CIF
HKL
Paper
C29 H28 Hg I2 N4 O4P -19.046; 13.153; 13.213
95.975; 99.503; 97.271
1525.5Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)
Acta Crystallographica Section C, 2011, 67, m176-m180
2018117 CIF
HKL
Paper
Cl2 Mg O8P 1 21/c 14.85705; 8.41719; 7.87301
90; 118.77; 90
282.137Lim, Hyung-Kyu; Choi, Young Sun; Hong, Seung-Tae
Magnesium perchlorate anhydrate, Mg(ClO~4~)~2~, from laboratory X-ray powder data
Acta Crystallographica Section C, 2011, 67, i36-i38
2018118 CIF
HKL
Paper
C9 H9 Br3P -14.6061; 8.2473; 14.7545
99.756; 93.909; 96.506
546.64Fernandes, José A.; Vilela, Sérgio M. F.; Ribeiro-Claro, Paulo J. A.; Almeida Paz, Filipe A.
1,3,5-Tris(bromomethyl)benzene
Acta Crystallographica Section C, 2011, 67, o198-o200
2018119 CIF
HKL
Paper
C18 H20 Cd N6 O4P -19.79; 10.1129; 11.2737
66.198; 87.935; 69.418
948.7Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan
Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ~3~-benzene-1,4-diacetate)] double chains
Acta Crystallographica Section C, 2011, 67, m173-m175

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