Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1544555 | CIF | C29 H34 Si2 | P 1 21/c 1 | 15.291; 11.701; 14.17 90; 93.057; 90 | 2532 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544556 | CIF | C27 H36 N2 O2 Si2 | P -1 | 7.221; 11.79; 16.389 110.915; 93.663; 94.99 | 1291.6 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544557 | CIF | C23 H11 F8 N3 O | P 1 21/c 1 | 6.5595; 41.849; 6.9922 90; 94.939; 90 | 1912.3 | Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study. Chemical science, 2017, 8, 2086-2090 |
| 1544558 | CIF | C32 H22 F4 I2 N6 O2 | P 1 21/c 1 | 15.842; 5.698; 16.7517 90; 94.72; 90 | 1507 | Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study. Chemical science, 2017, 8, 2086-2090 |
| 1544559 | CIF | B K O6 Si2 | I -4 3 d | 12.604; 12.604; 12.604 90; 90; 90 | 2002.28 | Ihara, M.; Kamei, F. Crystal structure of potassium borosilicate, K2O*B2O3*4SiO2 Yogyo-Kyokai-Shi, 1980, 88, 32-35 |
| 1544560 | CIF | K Nb O3 | A 2 m m | 3.9807; 5.688; 5.711 90; 90; 90 | 129.31 | Sugimoto, W.; Mimuro, K.; Sugahara, Y.; Kuroda, K. Synthesis and structural study of the KNb4O6-type compound Journal of the Ceramic Society of Japan, 1999, 107, 318-321 |
| 1544561 | CIF | K Nb4 O6 | P 4/m m m | 4.1396; 4.1396; 8.256 90; 90; 90 | 141.48 | Sugimoto, W.; Mimuro, K.; Sugahara, Y.; Kuroda, K. Synthesis and structural study of the KNb4O6-type compound Journal of the Ceramic Society of Japan, 1999, 107, 318-321 |
| 1544562 | CIF | O4 Ti Zn2 | F d -3 m | 8.46952; 8.46952; 8.46952 90; 90; 90 | 607.542 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544563 | CIF | O4 Ta0.12 Ti0.88 Zn1.94 | F d -3 m | 8.4836; 8.4836; 8.4836 90; 90; 90 | 610.577 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544564 | CIF | O4 Ta0.16 Ti0.84 Zn1.92 | F d -3 m | 8.48834; 8.48834; 8.48834 90; 90; 90 | 611.601 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544565 | CIF | O4 Ta0.15 Ti0.85 Zn1.925 | F d -3 m | 8.48707; 8.48707; 8.48707 90; 90; 90 | 611.327 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544566 | CIF | O4 Ta0.14 Ti0.86 Zn1.93 | F d -3 m | 8.48584; 8.48584; 8.48584 90; 90; 90 | 611.061 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544567 | CIF | O4 Ta0.1 Ti0.9 Zn1.95 | F d -3 m | 8.48705; 8.48705; 8.48705 90; 90; 90 | 611.322 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544568 | CIF | O4 Ta0.6 Ti0.4 Zn1.7 | P 43 2 2 | 6.08818; 6.08818; 8.40919 90; 90; 90 | 311.694 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544569 | CIF | O4 Ta0.15 Ti0.85 Zn1.925 | P 43 2 2 | 6.02256; 6.02256; 8.42382 90; 90; 90 | 305.542 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544570 | CIF | La9.33 O26 Si6 | P 63 | 9.72; 9.72; 7.1859 90; 90; 120 | 587.96 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544571 | CIF | Al2 La10 O26 Si4 | P 63 | 9.715; 9.715; 7.233 90; 90; 120 | 591.2 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544572 | CIF | Al La9.67 O26 Si5 | P 63 | 9.716; 9.716; 7.213 90; 90; 120 | 589.69 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544573 | CIF | Al0.5 La9.5 O26 Si5.5 | P 63 | 9.723; 9.723; 7.205 90; 90; 120 | 589.88 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544574 | CIF | Al1.5 La9.8 O26 Si4.5 | P 63 | 9.717; 9.717; 7.227 90; 90; 120 | 590.95 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544575 | CIF | O4 Ta0.15 Ti0.85 Zn1.925 | F d -3 m | 8.488; 8.488; 8.488 90; 90; 90 | 611.5 | Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T. Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 300 K Journal of the Ceramic Society of Japan, 2008, 116, 525-529 |
| 1544576 | CIF | Al0.15 O4 Ta0.15 Ti0.7 Zn2 | F d -3 m | 8.474; 8.474; 8.474 90; 90; 90 | 608.51 | Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T. Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 300 K Journal of the Ceramic Society of Japan, 2008, 116, 525-529 |
| 1544577 | CIF | Al0.15 O4 Ta0.15 Ti0.7 Zn2 | F d -3 m | 8.481; 8.481; 8.481 90; 90; 90 | 610.02 | Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T. Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 400 K Journal of the Ceramic Society of Japan, 2008, 116, 525-529 |
| 1544578 | CIF | Al0.15 O4 Ta0.15 Ti0.7 Zn2 | F d -3 m | 8.4891; 8.4891; 8.4891 90; 90; 90 | 611.77 | Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T. Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 500 K Journal of the Ceramic Society of Japan, 2008, 116, 525-529 |
| 1544579 | CIF HKL | C23 H15 N5 S2 Zn | P 1 21/n 1 | 11.518; 25.095; 23.137 90; 98.217; 90 | 6619 | Wang, An-ran; Wang, Cong; Li, Sheng-Li (4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate IUCrData, 2016, 1, x161758 |
| 1544580 | CIF HKL | C16 H16 N2 O2 | P -1 | 8.1948; 9.563; 9.7528 68.106; 73.141; 85.379 | 678.37 | Ping, Zhang; Ting, Zhang; Song, Chang-Chun 9-Butyl-3-nitro-9<i>H</i>-carbazole IUCrData, 2016, 1, x161776 |
| 1544581 | CIF HKL Paper | C12 H12 N2 O5 | P -1 | 3.7072; 11.4251; 14.3713 70.748; 88.425; 83.284 | 570.68 | Eltayeb, Naser Eltaher Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate IUCrData, 2016, 1, x161741 |
| 1544582 | CIF HKL Paper | C16 H34 Cl N5 | P 1 21/c 1 | 21.598; 7.0666; 13.3909 90; 105.031; 90 | 1973.85 | El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. 4-Amino-5-tetradecylamino-4<i>H</i>-1,2,4-triazol-1-ium chloride IUCrData, 2016, 1, x161819 |
| 1544583 | CIF HKL | C20 H14 Cu N4 O5 | P -1 | 9.948; 9.955; 12.043 66.38; 82.99; 61.08 | 952.6 | Tao, Hong-Hong; Chen, Yu-Han; Liu, Ya-Sai; Deji, Zhuo-Ga Poly[(μ~3~-5-hydroxyisophthalato)[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]copper] IUCrData, 2016, 1, x161802 |
| 1544584 | CIF HKL Paper | C13 H11 F N4 O | P 1 21/c 1 | 3.9166; 16.6608; 18.8096 90; 93.232; 90 | 1225.44 | Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S. 5-(2-Ethoxy-4-fluorophenyl)-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine IUCrData, 2016, 1, x161770 |
| 1544585 | CIF HKL Paper | C14 H12 N2 O6 | P 1 21/c 1 | 7.683; 17.309; 11.172 90; 109.26; 90 | 1402.6 | Devi, S. Reena; Kalaiyarasi, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G. 4-Methylpyridinium 2-carboxy-6-nitrobenzoate IUCrData, 2016, 1, x161803 |
| 1544586 | CIF HKL | C13 H9 N O | P 1 21 1 | 12.957; 5.3621; 14.44 90; 109.548; 90 | 945.4 | Wang, Cong; Wang, An-Ran; Li, Sheng-Li 9<i>H</i>-Carbazole-9-carbaldehyde IUCrData, 2016, 1, x161757 |
| 1544587 | CIF HKL Paper | C14 H19 N5 O | P 1 21/c 1 | 9.7056; 7.7663; 20.262 90; 93.49; 90 | 1524.45 | Geetha, Selvaraj; Yuva Priya, Muniraj Krishnaveni; Chandralekha, Kuppan; Thennarasu, Sathiah; Lakshmi, Srinivasakannan <i>N</i>-[3-Methyl-1-phenyl-1-(1<i>H</i>-tetrazol-1-yl)butan-2-yl]acetamide IUCrData, 2016, 1, x161810 |
| 1544588 | CIF | C35 H48 N2 O Zn | P 1 21 1 | 8.453; 18.142; 10.3805 90; 97.637; 90 | 1577.8 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate) Macromolecules, 2016 |
| 1544589 | CIF | C80 H100 N4 O4 Zn2 | P -1 | 12.0439; 12.0523; 13.1052 91.335; 107.129; 109.096 | 1702.7 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate) Macromolecules, 2016 |
| 1544590 | CIF | C89 H98 N4 O4 Si2 Zn2 | P 1 21 1 | 10.894; 33.799; 21.937 90; 101.82; 90 | 7906 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate) Macromolecules, 2016 |
| 1544591 | CIF | C29 H45 N3 O2 Zn | P 1 21/c 1 | 11.1804; 13.0247; 19.4626 90; 95.724; 90 | 2820 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate) Macromolecules, 2016 |
| 1544592 | CIF | C30 H36 S4 | P -1 | 9.0286; 9.0591; 9.4956 81.785; 73.648; 66.336 | 682.18 | Dong, Xin; Tian, Hongkun; Xie, Zhiyuan; Geng, Yanhou; Wang, Fosong Donor–acceptor conjugated polymers based on two-dimensional thiophene derivatives for bulk heterojunction solar cells Polym. Chem., 2017, 8, 421 |
| 1544593 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.8604; 7.8604; 9.5702 90; 90; 120 | 512.08 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 1 atm Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544594 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.768; 7.768; 9.496 90; 90; 120 | 496.2 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 3.6 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544595 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.751; 7.751; 9.475 90; 90; 120 | 492.98 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 4.4 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544596 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.708; 7.708; 9.435 90; 90; 120 | 485.5 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 6.2 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544597 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.649; 7.649; 9.381 90; 90; 120 | 475.3 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 9.1 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544598 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.644; 7.644; 9.372 90; 90; 120 | 474.25 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 9.4 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544599 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.624; 7.624; 9.347 90; 90; 120 | 470.5 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 10.8 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544600 | CIF | Al1.84 Ca2 Fe0.16 H2 O12 Si3 | P m a 2 | 18.487; 5.4801; 4.6306 90; 90; 90 | 469.13 | Akasaka, M.; Hashimoto, H.; Makino, K.; Hino, R. 57Fe Mossbauer and X-ray Rietveld studies of ferrian prehnite from Kouragahara, Shimane Peninsula, Japan : Model Pma2 Journal of Mineralogical and Petrological Sciences, 2003, 98, 31-40 |
| 1544601 | CIF | Al1.84 Ca2 Fe0.16 H2 O12 Si3 | P m n a | 18.487; 4.6302; 5.4802 90; 90; 90 | 469.1 | Akasaka, M.; Hashimoto, H.; Makino, K.; Hino, R. 57Fe Mossbauer and X-ray Rietveld studies of ferrian prehnite from Kouragahara, Shimane Peninsula, Japan : Model Pmna Journal of Mineralogical and Petrological Sciences, 2003, 98, 31-40 |
| 1544602 | CIF | C56 H72 F12 N4 O2 Si2 Zn2 | P 1 21/c 1 | 11.3281; 24.0698; 13.5639 90; 110.91; 90 | 3454.8 | Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B. A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide Chem. Sci., 2017, 8, 1876 |
| 1544603 | CIF | C31 H45 F6 N3 Si2 Zn | P -1 | 10.5225; 11.8495; 16.4988 91.643; 107.641; 115.266 | 1742.8 | Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B. A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide Chem. Sci., 2017, 8, 1876 |
| 1544604 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6774; 8.8405; 8.4554 90; 90; 90 | 349.6 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax08 at 1 atm, 1173 K Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544605 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6593; 8.8121; 8.4171 90; 90; 90 | 345.6 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax08 at 1 atm, 573 K Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544606 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.668; 8.8244; 8.434 90; 90; 90 | 347.4 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax08 at 1 atm, 873 K Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544607 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6489; 8.7935; 8.3957 90; 90; 90 | 343.2 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax08 at 1 atm, room temperature Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544608 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.5949; 8.7252; 8.264 90; 90; 90 | 331.32 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax05 at 6.2 GPa, room temperature Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544609 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6047; 8.7423; 8.2932 90; 90; 90 | 333.85 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax05 at 5.1 GPa, room temperature Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544610 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6539; 8.8063; 8.394 90; 90; 90 | 344.02 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax05 at 1 atm, room temperature Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544611 | CIF | O2 Si | P m -3 n | 13.4104; 13.4104; 13.4104 90; 90; 90 | 2411.71 | Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 84 C Journal of Mineralogical and Petrological Sciences, 2005, 100, 247-259 |
| 1544612 | CIF | O2 Si | ? | 26.786; 26.786; 13.3351 90; 90; 90 | 9567.8 | Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at -50 C Journal of Mineralogical and Petrological Sciences, 2005, 100, 247-259 |
| 1544613 | CIF | O2 Si | ? | 26.808; 26.808; 13.394 90; 90; 90 | 9626 | Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 60 C Journal of Mineralogical and Petrological Sciences, 2005, 100, 247-259 |
| 1544614 | CIF | E1.19 Nb0.39 O4 R Ta0.58 Ti0.02 Y0.81 | P 1 2/a 1 | 5.292; 5.452; 5.1149 90; 95.89; 90 | 146.8 | Hori, H.; Kobayashi, T.; Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shimizu, M. Iwashiroite-(Y), YTaO3, a new mineral from Suishoyama, Kawamata town, Fukushima Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2006, 101, 170-177 |
| 1544615 | CIF | H0.06 Mg1.985 O4 Si0.993 | P b n m | 4.756; 10.208; 5.988 90; 90; 90 | 290.71 | Kudoh, Y.; Kuribayashi, T.; Kagi, H.; Inoue, T. Cation vacancy and possible hydrogen positions in hydrous forsterite, Mg1.985Si0.993H0.06O4, synthesized at 13.5 GPa and 1300 ?C Journal of Mineralogical and Petrological Sciences, 2006, 101, 265-269 |
| 1544616 | CIF | Fe0.14 H0.06 Mg1.85 O4 Si0.99 | P b n m | 4.762; 10.216; 5.99 90; 90; 90 | 291.41 | Kudoh, Y.; Kuribayashi, T.; Litasov, K.; Ohtani, E. Cation vacancies and possible hydrogen atom positions in Fe-bearing hydrous forsterite, Mg1.85Fe0.14Si0.99H0.06O4, synthesized at 13.5 GPa and 1400 ?C Journal of Mineralogical and Petrological Sciences, 2007, 102, 306-310 |
| 1544617 | CIF | C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 | P 63 | 12.604; 12.604; 5.1144 90; 90; 120 | 703.6 | Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G. Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 173 K Journal of Mineralogical and Petrological Sciences, 2010, 105, 29-41 |
| 1544618 | CIF | C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 | P 63 | 12.631; 12.631; 5.132 90; 90; 120 | 709.1 | Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G. Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 293 K Journal of Mineralogical and Petrological Sciences, 2010, 105, 29-41 |
| 1544619 | CIF | C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 | P 63 | 12.659; 12.659; 5.1676 90; 90; 120 | 717.2 | Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G. Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 473 K Journal of Mineralogical and Petrological Sciences, 2010, 105, 29-41 |
| 1544620 | CIF | C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 | P 63 | 12.681; 12.681; 5.1827 90; 90; 120 | 721.8 | Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G. Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 673 K Journal of Mineralogical and Petrological Sciences, 2010, 105, 29-41 |
| 1544621 | CIF | Cr0.02 K1.93 Mg2.02 O7 Si2 | P -3 1 m | 5.0756; 5.0756; 6.5969 90; 90; 120 | 147.179 | Matsuzaki, T.; Hagiya, K.; Shatskiy, A.; Katsura, T.; Matsui, M. Crystal structure of anhydrous phase X, K1.93(Mg2.02Cr0.02)Si2.00O7 Journal of Mineralogical and Petrological Sciences, 2010, 105, 303-308 |
| 1544622 | CIF | Fe0.193 Mn1.787 Mo3.01 O8 | P 63 m c | 5.8052; 5.8052; 10.2277 90; 90; 120 | 298.5 | Nishio-Hamane, D.; Tomita, N.; Minakawa, T.; Inaba, S. Iseite, Mn2Mo3O8, a new mineral from Ise, Mie Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2013, 108, 37-41 |
| 1544623 | CIF | Fe0.35 Mg1.64 O4 Si | P b n m | 4.7673; 10.2492; 6.0021 90; 90; 90 | 293.269 | Ejima, T.; Akasaka, M.; Ohfuji, H. Oxidation state of Fe in olivine in a lherzolite xenolith from Oku district, Oki-Dogo island, Shimane Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2011, 106, 246-254 |
| 1544624 | CIF | Fe0.38 Mg1.62 O4 Si | P b n m | 4.7686; 10.2542; 6.0036 90; 90; 90 | 293.565 | Ejima, T.; Akasaka, M.; Nagao, T.; Ohfuji, H. Oxidation state of Fe in olivine in andesitic scoria from Kasayama volcano, Hagi, Yamaguchi Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2012, 107, 215-225 |
| 1544625 | CIF | Al7 B3 Ca Fe3 H4 O31 Si5 | R 3 m :H | 15.929; 15.929; 7.183 90; 90; 120 | 1578.39 | Nishio-Hamane, D.; Minakawa, T.; Yamaura, J.-I.; Oyama, T.; Ohnishi, M.; Shimobayashi, N. Adachiite, a Si-poor member of the tourmaline supergroup from the Kiura mine, Oita Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2014, 109, 74-78 |
| 1544626 | CIF HKL Paper | C25 H20 N4 O S | P 1 21/c 1 | 21.8833; 5.7007; 16.8054 90; 100.234; 90 | 2063.12 | Sebbar, Nada Kheira; Ellouz, Mohamed; Boulhaoua, Mohammed; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. (2<i>Z</i>)-2-Benzylidene-4-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData, 2016, 1, x161823 |
| 1544627 | CIF HKL | C3 Cl2 O S2 | P 1 21/n 1 | 8.678; 7.9332; 8.734 90; 98.62; 90 | 594.5 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa 4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one IUCrData, 2016, 1, x161820 |
| 1544628 | CIF HKL | C7 H4 S3 | P 1 21/n 1 | 4.0062; 10.739; 17.178 90; 95.237; 90 | 736 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa A second polymorph of 3<i>H</i>-1,2-benzodithiole-3-thione IUCrData, 2016, 1, x161799 |
| 1544629 | CIF | C56 H68 B4 Cl8 Fe2 N14 O12 | P 1 21/c 1 | 19.4453; 15.7177; 23.5873 90; 109.174; 90 | 6809.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544630 | CIF | C43 H54 B4 Cl6 Fe2 N14 O12 | P -1 | 8.4174; 19.6607; 20.1792 60.961; 79.048; 87.787 | 2860.9 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544631 | CIF | C226 H267 B20 F16 Fe8 N65 O48 Pd2 | P -1 | 20.2193; 20.6255; 21.5175 63.61; 76.958; 85.618 | 7828.1 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544632 | CIF | C160 H192 B20 F16 Fe8 N56 O48 Pd2 | P 1 2/c 1 | 41.2884; 14.0841; 54.0058 90; 97.789; 90 | 31115.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544633 | CIF | C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 | P -1 | 21.3764; 21.4422; 23.5362 105.44; 91.132; 90.267 | 10396.1 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544634 | CIF | C244 H264 B20 F16 Fe8 N56 O56 Pd2 | P -1 | 20.6996; 21.9894; 23.0916 96.416; 91.4; 109.195 | 9843.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544635 | CIF | C264 H306 B20 F16 Fe8 N62 O56 Pd2 | P 4/m n c | 17.5471; 17.5471; 62.6742 90; 90; 90 | 19297.4 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544636 | CIF | As H O5 Zn2 | P n n m | 8.3428; 8.566; 6.0769 90; 90; 90 | 434.28 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1544637 | CIF | As H O5 Zn2 | P -1 | 5.8438; 6.7226; 5.6566 104.348; 92.32; 76.683 | 209.47 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1544638 | CIF | As H3 O6 Zn2 | P 1 21/c 1 | 12.8014; 7.939; 10.2262 90; 104.49; 90 | 1006.23 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1544639 | CIF | Ba0.97 O7 Si2 Sr0.03 V | C m c m | 5.3546; 15.249; 7.094 90; 90; 90 | 579.2 | Ito, M.; Yokoyama, K.; Momma, K.; Miyawaki, R.; Nakai, I.; Kato, A. Crystal structure of suzukiite from the Mogurazawa mine, Gunma Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2014, 109, 222-227 |
| 1544640 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.8134; 8.3108; 11.0183 90; 110.418; 90 | 756.3 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -50 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1544641 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.819; 8.308; 11.0121 90; 110.432; 90 | 756.1 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -40 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1544642 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.826; 8.315; 11.026 90; 110.434; 90 | 758.3 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -30 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1544643 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.878; 8.362; 11.088 90; 110.492; 90 | 771.1 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -10 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1544644 | CIF | C70 H83 Sb4 Y3 | C 1 c 1 | 14.8643; 19.384; 24.2728 90; 107.004; 90 | 6688 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544645 | CIF | C70 H83 Dy3 Sb4 | C 1 c 1 | 14.8968; 19.3308; 24.2616 90; 106.568; 90 | 6696.5 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544646 | CIF | C70 H83 Dy3 Sb3 | C 1 c 1 | 15.113; 18.7437; 24.0965 90; 103.339; 90 | 6641.75 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544647 | CIF | C70 H83 Sb3 Y3 | C 1 c 1 | 15.1052; 18.7715; 24.1263 90; 103.437; 90 | 6653.68 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544648 | CIF | C18 H24 Sb2 | P -1 | 5.174; 7.9835; 11.2694 88.921; 79.679; 73.714 | 439.35 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544649 | CIF | C19 H35 N3 O7 | P 65 | 19.7793; 19.7793; 11.2095 90; 90; 120 | 3797.9 | Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish A self-assembled peptide mimetic of a tubular host and a supramolecular polymer Polym. Chem., 2017, 8, 396 |
| 1544650 | CIF HKL Paper | C43 H35 O4 P Sn | P 21 21 21 | 9.362; 17.7187; 22.1796 90; 90; 90 | 3679.2 | Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Renald, David (2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV) IUCrData, 2016, 1, x161840 |
| 1544651 | CIF HKL Paper | C22 H20 N2 O2 | P 1 21/c 1 | 8.9169; 17.636; 11.7937 90; 109.199; 90 | 1751.51 | Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Essassi, El Mokhtar; Mague, Joel T. 1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData, 2016, 1, x161849 |
| 1544652 | CIF HKL Paper | C21 H20 Cl5 N4 Ni O1.5 | C 1 2/c 1 | 29.1709; 11.2898; 20.0517 90; 131.163; 90 | 4971.5 | Vasileiadou, Eugenia; Angaridis, Panagiotis A.; Raptis, Raphael G.; Mathivathanan, Logesh Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate IUCrData, 2016, 1, x161834 |
| 1544653 | CIF HKL Paper | C24 H24 N4 O S2 | P 21 21 21 | 5.8948; 17.7215; 22.0042 90; 90; 90 | 2298.66 | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; R.Albayati, Mustafa 3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate IUCrData, 2016, 1, x161835 |
| 1544654 | CIF HKL Paper | C60 H50 Cl2 Si5 | P 1 21/n 1 | 11.6675; 33.682; 13.3653 90; 94.184; 90 | 5238.4 | Neumeyer, Felix; Kotil, Leyla; Auner, Norbert; Bolte, Michael 1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane IUCrData, 2016, 1, x161812 |
| 1544655 | CIF | C90 H121 F6 N7 O18 P | P 1 21/c 1 | 22.63; 23.529; 19.425 90; 112.979; 90 | 9522 | Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes. Chemical science, 2017, 8, 2091-2100 |
| 1544656 | CIF | C216 H292 F12 N20 O36 P2 | P 1 21/n 1 | 22.928; 25.6042; 23.2131 90; 111.03; 90 | 12719.6 | Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes. Chemical science, 2017, 8, 2091-2100 |
| 1544657 | CIF | C12 H30 I6 N2 Pb | P b c a | 9.0651; 8.8852; 33.617 90; 90; 90 | 2707.7 | Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I. Decreasing the electronic confinement in layered perovskites through intercalation. Chemical science, 2017, 8, 1960-1968 |
| 1544658 | CIF | C39 H36 Cl2 Ir O2 P | C 1 2 1 | 19.385; 16.22; 10.9215 90; 107.035; 90 | 3283.3 | Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids. Chemical science, 2017, 8, 1977-1980 |
| 1544659 | CIF | C22 H12 I N6 O3 Re | P 1 21/n 1 | 7.0191; 18.0476; 16.9652 90; 99.85; 90 | 2117.44 | Wedding, J. L.; Harris, H. H.; Bader, C. A.; Plush, S. E.; Mak, R.; Massi, M.; Brooks, D. A.; Lai, B.; Vogt, S.; Werrett, M. V.; Simpson, P. V.; Skelton, B. W.; Stagni, S. Intracellular distribution and stability of a luminescent rhenium(i) tricarbonyl tetrazolato complex using epifluorescence microscopy in conjunction with X-ray fluorescence imaging. Metallomics : integrated biometal science, 2017, 9, 382-390 |
| 1544660 | CIF | C45 H43 Cl11 N O P Pd | P 21 21 21 | 13.7983; 18.7174; 19.3028 90; 90; 90 | 4985.3 | Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F. Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters. Chemical science, 2017, 8, 1981-1985 |
| 1544661 | CIF | C17 H17 N | P 21 21 21 | 6.077; 7.7665; 27.619 90; 90; 90 | 1303.5 | Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F. Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters. Chemical science, 2017, 8, 1981-1985 |
| 1544662 | CIF HKL Paper | C18 H21 N5 O S2 | P 1 21/n 1 | 14.762; 7.3509; 17.9987 90; 106.936; 90 | 1868.41 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R. 4-Amino-3-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate IUCrData, 2016, 1, x161855 |
| 1544663 | CIF HKL Paper | C23 H20 N6 O S | P 1 21/c 1 | 13.4306; 7.3467; 21.643 90; 103.299; 90 | 2078.3 | Mohamed, Shaaban K.; Al-Taifi, Elham A.; Akkurt, Mehmet; Mague, Joel T.; Bakhit, Etiafy M. 1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)methyl]-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole IUCrData, 2016, 1, x161867 |
| 1544664 | CIF | Ba4 In6 O13 | I b a 2 | 11.46; 20.95; 5.944 90; 90; 90 | 1427 | Yoshiasa, A.; Takeno, S.; Iishi, K. Ba4In6O13: a compound with distorted square pyramidal InO5 coordination polyhedra Mineralogical Journal, 1992, 16, 40-48 |
| 1544665 | CIF | Li Nb O3 | R 3 c :H | 5.1502; 5.1502; 13.8653 90; 90; 120 | 318.499 | Ohgaki, M.; Tanaka, K.; Marumo, F. LiNbO3, with anharmonic thermal vibration model Mineralogical Journal, 1992, 16, 150-160 |
| 1544666 | CIF | Ca0.951 Co0.563 Mg0.486 O6 Si2 | C 1 2/c 1 | 9.77; 8.9395; 5.2451 90; 105.72; 90 | 440.97 | Tabira, Y.; Ishizawa, N.; Marumo, F. Cobalt atoms at M(2) site in C2/c clinopyroxenes of the system CaMgSi2O6 (Di)-CaCoSi2O6 (CaCoPx) Mineralogical Journal, 1992, 16, 225-245 |
| 1544667 | CIF | Ca0.97 Co0.199 Mg0.831 O6 Si2 | C 1 2/c 1 | 9.753; 8.9261; 5.2486 90; 105.856; 90 | 439.54 | Tabira, Y.; Ishizawa, N.; Marumo, F. Cobalt atoms at M(2) site in C2/c clinopyroxenes of the system CaMgSi2O6 (Di)-CaCoSi2O6 (CaCoPx) Mineralogical Journal, 1992, 16, 225-245 |
| 1544668 | CIF | H O5 P Zn2 | P 21 21 2 | 8.099; 8.325; 5.966 90; 90; 90 | 402.25 | Kawahara, A.; Moritani, H.; Yamakawa, J. LiNbO3, with anharmonic thermal vibration model Mineralogical Journal, 1994, 17, 132-139 |
| 1544669 | CIF | Al0.53 Ca Fe0.37 Mg0.55 O6 Si1.55 | C 1 2/c 1 | 9.741; 8.847; 5.306 90; 106.96; 90 | 437.38 | Okui, M.; Marumo, F.; Sawada, H.; Ueki, M.; Ishizawa, N. Site confirmation of Fe3+ in a synthetic ferrian aluminian diopside with an application of X-ray anomalous dispersion Mineralogical Journal, 1997, 19, 165-172 |
| 1544670 | CIF | Ca0.8 F0.89 H0.36 Mn0.01 Na O6.15 Sb2 | F d -3 m | 10.265; 10.265; 10.265 90; 90; 90 | 1081.6 | Matsubara, S.; Kato, A.; Shimizu, M.; Sekiuchi, K.; Suzuki, Y. Romeite from the Gozaisho mine, Iwaki, Japan Mineralogical Journal, 1996, 18, 155-160 |
| 1544671 | CIF | Mn O3 Si | P 1 21/c 1 | 9.864; 9.179; 5.298 90; 108.22; 90 | 455.64 | Tokonami, M.; Horiuchi, H.; Nakano, A.; Akimoto, S.; Morimoto, N. The crystal structure of the pyroxene-type MnSiO3 Mineralogical Journal, 1979, 9, 424-426 |
| 1544672 | CIF | Mg0.315 Mn0.685 O3 Si | P -1 | 7.545; 11.782; 6.663 92.69; 94.32; 105.71 | 567.2 | Murakami, T.; Takeuchi, Y. Structure of synthetic rhodonite, Mn0.685Mg0.315SiO3, and compositional transformations in pyroxenoids Mineralogical Journal, 1979, 9, 286-304 |
| 1544673 | CIF | Mn O3 Si | P -1 | 6.721; 7.603; 17.455 113.2; 82.3; 94.1 | 812.3 | Narita, H.; Koto, K.; Morimoto, N. The crystal structures of MnSiO3 polymorphs (rhodonite- and pyroxmangite-type) Mineralogical Journal, 1977, 8, 329-342 |
| 1544674 | CIF | Mn O3 Si | P -1 | 7.616; 11.851; 6.707 92.55; 94.35; 105.67 | 579.8 | Narita, H.; Koto, K.; Morimoto, N. The crystal structures of MnSiO3 polymorphs (rhodonite- and pyroxmangite-type) Mineralogical Journal, 1977, 8, 329-342 |
| 1544675 | CIF | Al4 Ba Na2 O16 Si4 | I b a m | 8.496; 9.983; 16.755 90; 90; 90 | 1421.1 | Haga, N. The crystal structure of banalsite, BaNa2Al4Si4O16, and its relation to the feldspar structure Mineralogical Journal, 1973, 7, 262-281 |
| 1544676 | CIF | Al2.01 F1.2 H0.8 K0.87 Li1.05 Na0.12 O10.4 Si3.39 | C 1 2/c 1 | 9.032; 5.2; 20.15 90; 99.8; 90 | 933 | Takeda, H.; Haga, N.; Sadanaga, R. Structural investigation of polymorphic transition between 2M2-, 1M- lepidolite and 2M1 muscovite Mineralogical Journal, 1971, 6, 203-215 |
| 1544677 | CIF | Al F2 K Li2 O10 Si4 | C 1 2/m 1 | 5.188; 8.968; 10.029 90; 100.45; 90 | 458.9 | Takeda, H.; Burnham, C.W. Fluor-polylithionite: a lithium mica with nearly hexagonal (Si2O5)2- ring Mineralogical Journal, 1969, 6, 102-109 |
| 1544678 | CIF | Cu5 H2 O14 Si4 | P c a b | 9.88; 19.82; 5.4 90; 90; 90 | 1057 | Kawahara, A. The crystal structure of shattuckite Mineralogical Journal, 1976, 8, 193-199 |
| 1544679 | CIF | Al1.77 Fe3.51 K0.81 Li6.36 Na2.65 O30 Si12 | P 6/m c c | 10.007; 10.007; 14 90; 90; 120 | 1214.1 | Kato, T.; Miura, Y.; Murakami, N. Crystal structure of sugilite : O3 z corrected from 0.1072 to 0.172 Mineralogical Journal, 1976, 8, 184-192 |
| 1544680 | CIF | As H O5 Zn2 | P n n m | 8.386; 8.552; 6.036 90; 90; 90 | 432.9 | Kato, T.; Miura, Y. The crystal structures of adamite and paradamite Mineralogical Journal, 1977, 8, 320-328 |
| 1544681 | CIF | As H O5 Zn2 | P -1 | 5.83; 6.711; 5.648 104.73; 92.26; 76.81 | 208.04 | Kato, T.; Miura, Y. The crystal structures of adamite and paradamite Mineralogical Journal, 1977, 8, 320-328 |
| 1544682 | CIF | Al3.67 Ca1.1 H2 Mg2.18 O12 Si1.05 | C 1 2/m 1 | 5.194; 9; 9.8 90; 100.1; 90 | 451 | Takeuchi, Y.; Sadanaga, R. Structural studies of brittle micas (I) The structure of xanthophyllite refined Mineralogical Journal, 1966, 4, 424-437 |
| 1544683 | CIF | Cu3 H4 O8 S | P n a m | 8.23; 12; 6.03 90; 90; 90 | 596 | Araki, T. The crystal structure of antlerite Mineralogical Journal, 1961, 3, 223-235 |
| 1544684 | CIF | B4 Fe9 Mg3 O20 | P b a m | 9.73; 12.357; 3.055 90; 90; 90 | 367.314 | Takeuchi, Y. The crystal structure of vonsenite Mineralogical Journal, 1956, 2, 19-26 |
| 1544685 | CIF | Ag2 S | P 1 21/c 1 | 4.231; 6.93; 9.526 90; 125.5; 90 | 227.391 | Sadanaga, R.; Sueno, S. X-ray study of the alpha-beta transition of Ag2S Mineralogical Journal, 1967, 5, 124-148 |
| 1544686 | CIF | C70 H53 Cl4 Co2 N5 O7 | P 1 21/c 1 | 15.751; 22.3712; 19.2423 90; 109.938; 90 | 6374 | Gong, Chunhua; Zhang, Junyong; Zeng, Xianghua; Xie, Jingli Highly effective synthesis of a cobalt(ii) metal-organic coordination polymer by using continuous flow chemistry. Dalton transactions (Cambridge, England : 2003), 2016, 46, 25-28 |
| 1544687 | CIF | Ni S Sb | P 21 3 | 5.881; 5.881; 5.881 90; 90; 90 | 203.4 | Takeuchi, Y. Absolute structure of ullmanite, NiSbS Mineralogical Journal, 1957, 2, 90-102 |
| 1544688 | CIF | C15 H24 O4 | P 1 21 1 | 18.1759; 9.1998; 18.1799 90; 106.594; 90 | 2913.34 | Sobolevskaya, Maria P.; Leshchenko, Elena V.; Hoai, Trinh P. T.; Denisenko, Vladimir A.; Dyshlovoy, Sergey A.; Kirichuk, Natalya N.; Khudyakova, Yuliya V.; Kim, Natalya Yu.; Berdyshev, Dmitrii V.; Pislyagin, Evgeny A.; Kuzmich, Aleksandra S.; Gerasimenko, Andrey V.; Popov, Roman S.; von Amsberg, Gunhild; Antonov, Alexandr S.; Afiyatullov, Shamil Sh. Pallidopenillines: Polyketides from the Alga-Derived Fungus Penicillium thomii Maire KMM 4675 Journal of Natural Products, 2016 |
| 1544689 | CIF | C15 H24 O4 | P 21 21 21 | 9.2372; 10.9057; 14.6437 90; 90; 90 | 1475.18 | Sobolevskaya, Maria P.; Leshchenko, Elena V.; Hoai, Trinh P. T.; Denisenko, Vladimir A.; Dyshlovoy, Sergey A.; Kirichuk, Natalya N.; Khudyakova, Yuliya V.; Kim, Natalya Yu.; Berdyshev, Dmitrii V.; Pislyagin, Evgeny A.; Kuzmich, Aleksandra S.; Gerasimenko, Andrey V.; Popov, Roman S.; von Amsberg, Gunhild; Antonov, Alexandr S.; Afiyatullov, Shamil Sh. Pallidopenillines: Polyketides from the Alga-Derived Fungus Penicillium thomii Maire KMM 4675 Journal of Natural Products, 2016 |
| 1544690 | CIF | C22 H17 N O | P -1 | 9.3676; 9.5884; 10.1228 64.642; 88.742; 84.266 | 817.3 | Qiu, Zijie; Han, Ting; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong Polyarylcyanation of Diyne: A One-Pot Three-Component Convenient Route for In Situ Generation of Polymers with AIE Characteristics Macromolecules, 2016 |
| 1544691 | CIF HKL Paper | C30 H25 N O2 S | P 1 21/c 1 | 19.6758; 12.9382; 21.1306 90; 117.513; 90 | 4770.8 | Hemanathan, Karunakaran; Ravivarma, Mahalingam; Satheeshkumar, Chinnadurai; Rajakumar, Perumal; Sakthi Murugesan, K. (10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone) IUCrData, 2016, 1, x161838 |
| 1544692 | CIF HKL Paper | C15 H14 N2 S | P b c a | 11.0177; 7.8508; 29.691 90; 90; 90 | 2568.2 | Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying 4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline IUCrData, 2016, 1, x161847 |
| 1544693 | CIF HKL Paper | C15 H14 N2 O2 | P 1 21/n 1 | 5.519; 21.594; 9.917 90; 90.405; 90 | 1181.9 | Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 3-Hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one: <i>cis</i> isomer IUCrData, 2016, 1, x161879 |
| 1544694 | CIF HKL Paper | C22 H18 N2 O3 S | P 1 21/n 1 | 11.5227; 25.5293; 12.4749 90; 90.038; 90 | 3669.7 | Bakhite, Etify A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Albayati, Mustafa R. Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate IUCrData, 2016, 1, x161884 |
| 1544695 | CIF HKL Paper | C13 H8 Br N3 S2 | P 1 21/c 1 | 4.2159; 16.773; 19.4656 90; 91.149; 90 | 1376.2 | Sikine, Meriem; Mague, Joel T.; Kandri Rodi, Youssef; Essassi, El Mokhtar; Ouzidan, Younes 7-Bromo-2,3-bis[(prop-2-yn-1-yl)sulfanyl]pyrido[2,3-<i>b</i>]pyrazine IUCrData, 2016, 1, x161881 |
| 1544696 | CIF HKL Paper | C9 H8 Br2 O2 | P 1 21/n 1 | 5.5382; 28.864; 6.6112 90; 111.935; 90 | 980.32 | Howard, Trent R.; Mendez-deMello, Kaleh A.; Cardenas, Allan Jay P. 2,3-Dibromo-3-phenylpropanoic acid: a monoclinic polymorph IUCrData, 2016, 1, x161885 |
| 1544697 | CIF HKL Paper | C22 H28 Cl4 Cu N O S4 | P 1 21/c 1 | 17.6487; 8.8259; 18.973 90; 93.616; 90 | 2949.5 | Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate IUCrData, 2016, 1, x161883 |
| 1544698 | CIF | C23 H26 N2 O4 S | P 1 21/c 1 | 8.7498; 12.278; 20.161 90; 100.27; 90 | 2131.2 | Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules. Organic letters, 2016, 18, 6232-6235 |
| 1544699 | CIF | C15 H18 N2 O4 S | P -1 | 8.239; 9.8871; 10.5292 95.163; 109.34; 104.536 | 769.2 | Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules. Organic letters, 2016, 18, 6232-6235 |
| 1544700 | CIF | C21 H22 N2 O4 S | P -1 | 8.3281; 10.784; 12.649 70.74; 73.72; 67.38 | 974.5 | Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules. Organic letters, 2016, 18, 6232-6235 |
| 1544701 | CIF | C81.75 H139 F6 N17 O9.75 P | P 21 21 21 | 20.2513; 20.7166; 21.07611 90; 90; 90 | 8842.23 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544702 | CIF | C82 H140 F6 N16 O10 P Sb | P 1 21 1 | 20.20836; 21.378; 20.70075 90; 90.0578; 90 | 8943.02 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544703 | CIF | C82 H140 B F4 N17 O10 | P 21 21 21 | 20.03081; 20.92663; 20.97159 90; 90; 90 | 8790.82 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544704 | CIF | C81.75 H139 N17 O13.75 Re | P 21 21 21 | 20.1641; 20.8019; 21.1254 90; 90; 90 | 8861.1 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544705 | CIF | C82 H140 I N16 O14 P | P 1 21 1 | 20.1263; 21.3089; 20.7811 90; 90.0371; 90 | 8912.4 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544706 | CIF | C83 H140 F3 N17 O13 S | P 21 21 21 | 20.27229; 20.7328; 21.02695 90; 90; 90 | 8837.66 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544707 | CIF | C13 H4 F10 N4 O | P 1 21/c 1 | 14.6959; 7.2819; 13.7456 90; 94.301; 90 | 1466.83 | Chowdhury, Additi Roy; Ghosh, Pritam; Paul, Suparna; Bhuyan, Samuzal; Bose K, Jagadeesh C.; Mukhopadhyay, Sudit; Banerjee, Priyabrata A novel ditopic chemosensor for cadmium and fluoride and its possible application as a pH sensor Anal. Methods, 2017, 9, 124 |
| 1544708 | CIF | C35 H28 Cl Ir N6 | P 1 21/n 1 | 10.1258; 23.8593; 12.4713 90; 95.388; 90 | 2999.7 | Manbeck, Gerald; Garg, Komal; Shimoda, Tomoe; Szalda, David S.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko Hydricity, electrochemistry, and excited-state chemistry of Ir complexes for CO2 reduction Faraday Discuss., 2016 |
| 1544709 | CIF HKL | C12 H14 N4 O2 | P n a 21 | 9.0504; 9.0612; 14.3565 90; 90; 90 | 1177.34 | Bouayyadi, Abdellatif; Moussaif, Ahmed; Mesfioui, Abdelhalim; Mzibri, Mohammed; Saadi, Mohamed; El Ammari, Lahcen 3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one IUCrData, 2016, 1, x161895 |
| 1544710 | CIF HKL Paper | C5 H10 N2 O4 Pb S | P 1 21/n 1 | 4.4865; 15.7001; 13.6313 90; 91.481; 90 | 959.85 | Zouihri, Hafid; Ait Mouha, Mbark; Ba Mohamed, Bouchra; Yamni, Khalid; Tijani, Najib Poly[di-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>'-μ~3~-thiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]: a redetermination IUCrData, 2016, 1, x161892 |
| 1544711 | CIF | C29 H25 Cl F6 Fe N5 P | P b c m | 8.9422; 17.1851; 20.8463 90; 90; 90 | 3203.5 | Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss., 2016 |
| 1544712 | CIF | C29 H25 Cl F6 N5 P Ru | P b c m | 8.9368; 17.315; 20.91 90; 90; 90 | 3235.6 | Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss., 2016 |
| 1544713 | CIF | C29 H25 Cl F6 N5 Os P | P b c m | 8.978; 17.366; 20.947 90; 90; 90 | 3265.9 | Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss., 2016 |
| 1544714 | CIF | C29 H33 F12 Fe N5 O4 P2 | P -1 | 11.6708; 12.9661; 13.4037 72.888; 65.578; 66.936 | 1677.9 | Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss., 2016 |
| 1544715 | CIF | C29 H27 N7 O7 Ru | C 1 2/c 1 | 21.36; 11.5; 13.126 90; 121.481; 90 | 2749.7 | Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss., 2016 |
| 1544716 | CIF | Fe O3 Ti | R -3 | 5.08854; 5.08854; 14.0924 90; 90; 120 | 316.011 | Ohgaki, K.; Ohgaki, M.; Tanaka, K.; Marumo, F.; Takei, H. Electron-density distribution in ilmenite-type crystals, IV. Iron (II) titanium (IV) trioxide, FeTiO3 Mineralogical Journal, 1989, 14, 179-190 |
| 1544717 | CIF | Li O3 Ta | R 3 c :H | 5.15329; 5.15329; 13.7806 90; 90; 120 | 316.933 | Ohgaki, M.; Tanaka, K.; Marumo, F. Anharmonic thermal vibration in a crystal of lithium(I) tantalum(V) trioxide, LiTaO3 Mineralogical Journal, 1989, 14, 373-382 |
| 1544718 | CIF | Ni O3 Ti | R -3 | 5.0394; 5.0394; 13.811 90; 90; 120 | 303.75 | Ohgaki, M.; Tanaka, K.; Marumo, F.; Takei, H. Electron-density distribution in ilmenite-type crystals III. Nickel (II) titanium (IV) trioxide, NiTiO3 Mineralogical Journal, 1988, 14, 133-144 |
| 1544719 | CIF | Mn8 O16 Rb1.5 | I 4/m | 9.915; 9.915; 2.866 90; 90; 90 | 281.7 | Yamamoto, N.; Oka, Y.; Tamada, O. Single crystal growth and structure determination of Rb1.5Mn8O16 hollandite Mineralogical Journal, 1990, 15, 41-49 |
| 1544720 | CIF | Ba0.06 Fe0.16 H0.32 K0.98 Mn7.84 Na0.33 O16.16 | I 4/m | 9.832; 9.832; 2.8648 90; 90; 90 | 276.94 | Kubo, H.; Miura, H.; Hariya, Y. Tetragonal-monoclinic transformation of cryptomelane at high temperature Mineralogical Journal, 1990, 15, 50-63 |
| 1544721 | CIF | Ba0.08 Fe0.15 K1.21 Mn7.85 Na0.44 O16 | I 1 2/m 1 | 9.907; 2.865; 9.676 90; 90.52; 90 | 274.6 | Kubo, H.; Miura, H.; Hariya, Y. Tetragonal-monoclinic transformation of cryptomelane at high temperature Mineralogical Journal, 1990, 15, 50-63 |
| 1544722 | CIF | C37 H48 O12 | P 1 21 1 | 11.1727; 25.9159; 12.5581 90; 91.097; 90 | 3635.5 | Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity. Journal of natural products, 2016, 79, 2873 |
| 1544723 | CIF | C39 H46.5 O12.25 | C 1 2 1 | 41.529; 8.6149; 11.037 90; 100.788; 90 | 3879 | Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity. Journal of natural products, 2016, 79, 2873 |
| 1544724 | CIF | C36 H50 O16 | P 21 21 21 | 18.3977; 16.9305; 12.7043 90; 90; 90 | 3957.2 | Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity. Journal of natural products, 2016, 79, 2873 |
| 1544725 | CIF | Al8.73 Ca7.65 Fe2.39 Mg0.83 O56 Si12.37 | A 1 2/m 1 | 8.884; 5.899; 19.292 90; 97.49; 90 | 1002.4 | Ohkawa, M.; Takeno, S.; Yoshiasa, A.; Ohsumi, K. The structural study on Fe-pumpellyite: An application of Weissenberg technique combined with a synchrotron radiation and an imaging plate Mineralogical Journal, 1999, 21, 151-156 |
| 1544726 | CIF | Ba3 O8 P2 | R -3 m | 5.6038; 5.6038; 21 90; 90; 120 | 571.1 | Sugiyama, K.; Tokonami, M. The crystal structure refinements of the strontium and barium orthophosphates Mineralogical Journal, 1990, 15, 141-146 |
| 1544727 | CIF | O8 P2 Sr3 | R -3 m | 5.3901; 5.3901; 19.785 90; 90; 120 | 497.81 | Sugiyama, K.; Tokonami, M. The crystal structure refinements of the strontium and barium orthophosphates Mineralogical Journal, 1990, 15, 141-146 |
| 1544728 | CIF | Br3 Co H15 N5 | P n m a | 13.679; 10.706; 6.944 90; 90; 90 | 1016 | Wu, H. X.; Ma, L. D.; Sun, J.; Kong, X. F. Ab initio structure determination using conventional X-ray powder diffraction – the crystal structure of [Co(NH~3~)~5~Br]Br~2~ Acta Chimica Sinica, 1998, 56, 1184-1191 |
| 1544729 | CIF | Ba2 Ge0.5 O8 Si1.5 Ti | P 4 b m | 8.77; 8.77; 5.433 90; 90; 90 | 417.87 | Iijima, K.; Marumo, F.; Kimura, M.; Kawamura, T. Synthesis and crystal structdures of compounds in the system Ba2TiGe2O8-Ba2TiSi2O8 :Sample at 890 C Mineralogical Journal, 1982, 11, 107-118 |
| 1544730 | CIF | Ba2 Ge0.5 O8 Si1.5 Ti | P 4 b m | 8.583; 8.583; 5.268 90; 90; 90 | 388.08 | Iijima, K.; Marumo, F.; Kimura, M.; Kawamura, T. Synthesis and crystal structdures of compounds in the system Ba2TiGe2O8-Ba2TiSi2O8 Mineralogical Journal, 1982, 11, 107-118 |
| 1544731 | CIF | O2 Si | P 42/m n m | 4.1797; 4.1797; 2.6669 90; 90; 90 | 46.59 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 1 bar Mineralogical Journal, 1987, 13, 455-466 |
| 1544732 | CIF | O2 Si | P 42/m n m | 4.1738; 4.1738; 2.6663 90; 90; 90 | 46.449 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 0.95 GPa Mineralogical Journal, 1987, 13, 455-466 |
| 1544733 | CIF | O2 Si | P 42/m n m | 4.1693; 4.1693; 2.6652 90; 90; 90 | 46.329 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 1.99 GPa Mineralogical Journal, 1987, 13, 455-466 |
| 1544734 | CIF | O2 Si | P 42/m n m | 4.1642; 4.1642; 2.6636 90; 90; 90 | 46.188 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 2.96 GPa Mineralogical Journal, 1987, 13, 455-466 |
| 1544735 | CIF | O2 Si | P 42/m n m | 4.1564; 4.1564; 2.6602 90; 90; 90 | 45.957 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 4.55 GPa Mineralogical Journal, 1987, 13, 455-466 |
| 1544736 | CIF | O2 Si | P 42/m n m | 4.152; 4.152; 2.659 90; 90; 90 | 45.84 | Sugiyama, M.; Endo, S.; Koto, K. The crystal structure of stishovite under pressure up to 6 GPa :Sample at 5.17 GPa Mineralogical Journal, 1987, 13, 455-466 |
| 1544737 | CIF | C32 H42 N2 O2 S2 | P 1 21/c 1 | 16.0039; 5.6678; 17.5189 90; 111.918; 90 | 1474.22 | Yoon, Won Sik; Kim, Dong Won; Park, Jun-Mo; Cho, Illhun; Kwon, Oh Kyu; Whang, Dong Ryeol; Kim, Jin Hong; Park, Jung-Hwa; Park, Soo Young A Novel Bis-Lactam Acceptor with Outstanding Molar Extinction Coefficient and Structural Planarity for Donor–Acceptor Type Conjugated Polymer Macromolecules, 2016, 49, 8489 |
| 1544738 | CIF | Ni S2 | P a -3 | 5.6845; 5.6845; 5.6845 90; 90; 90 | 183.69 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 1 atm Mineralogical Journal, 1987, 13, 448-454 |
| 1544739 | CIF | Ni S2 | P a -3 | 5.6196; 5.6196; 5.6196 90; 90; 90 | 177.47 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 32 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 1544740 | CIF | Ni S2 | P a -3 | 5.5852; 5.5852; 5.5852 90; 90; 90 | 174.23 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 49 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 1544741 | CIF | Ni S2 | P a -3 | 5.5745; 5.5745; 5.5745 90; 90; 90 | 173.23 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 54 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 1544742 | CIF | C26 H38 Au N2 P S | P 1 21/c 1 | 12.4327; 15.7628; 12.9117 90; 97.2061; 90 | 2510.37 | Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands. Chemical science, 2017, 8, 2352-2364 |
| 1544743 | CIF | C32 H25 Au N2 O2 | P 1 21/c 1 | 11.4778; 20.461; 11.6734 90; 111.062; 90 | 2558.3 | Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands. Chemical science, 2017, 8, 2352-2364 |
| 1544744 | CIF | C39 H51 Au B F2 N2 P | P 1 21/n 1 | 10.9501; 25.1526; 13.6349 90; 102.556; 90 | 3665.6 | Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands. Chemical science, 2017, 8, 2352-2364 |
| 1544745 | CIF | C372 H446 Cd24 Eu8 N24 O142 | P -4 n 2 | 42.723; 42.723; 37.856 90; 90; 90 | 69097 | Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors. Nanoscale, 2017, 9, 517-521 |
| 1544746 | CIF | C389 H512 Cd24 N24 Nd8 O173.5 | P -4 n 2 | 42.795; 42.795; 37.864 90; 90; 90 | 69345 | Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors. Nanoscale, 2017, 9, 517-521 |
| 1544747 | CIF | Al F2 Ge3 K Mg2.32 Mn0.68 O10 | C 1 2/m 1 | 5.435; 9.413; 10.458 90; 100.03; 90 | 526.9 | Toraya, H.; Marumo, F. Structure variation with octahedral cation substitution in the system of germanate micas, KMg3-xMnxGe3AlO10F2 Mineralogical Journal, 1981, 10, 396-407 |
| 1544748 | CIF | Al F2 Ge3 K Mg1.04 Mn1.96 O10 | C 1 2/m 1 | 5.489; 9.509; 10.462 90; 100.12; 90 | 537.57 | Toraya, H.; Marumo, F. Structure variation with octahedral cation substitution in the system of germanate micas, KMg3-xMnxGe3AlO10F2 Mineralogical Journal, 1981, 10, 396-407 |
| 1544749 | CIF | C10 Cl8 | P 1 21/n 1 | 9.7188; 7.1598; 18.2787 90; 98.358; 90 | 1258.41 | Sarkar, Sounak; Row, Tayur N. Guru A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene IUCrJ, 2017, 4 |
| 1544750 | CIF | C40 H32 Bi2 Cl12 N8 | P 1 21/n 1 | 18.6824; 9.7571; 27.8985 90; 93.921; 90 | 5073.6 | Wagner, Bettina; Dehnhardt, Natalie; Schmid, Martin; Klein, Benedikt P.; Ruppenthal, Lukas; Müller, Philipp; Zugermeier, Malte; Gottfried, J. Michael; Lippert, Sina; Halbich, Marc-Uwe; Rahimi-Iman, Arash; Heine, Johanna Color Change Effect in an Organic‒Inorganic Hybrid Material Based on a Porphyrin Diacid The Journal of Physical Chemistry C, 2016 |
| 1544751 | CIF | C35 H53 Fe N2 P3 Si | P c a 21 | 17.8087; 11.3207; 17.3127 90; 90; 90 | 3490.36 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544752 | CIF | C43 H65 Fe N3 Na O2 P3 Si | P 1 21/c 1 | 13.454; 10.208; 32.264 90; 90.86; 90 | 4431 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544753 | CIF | C69 H71 B F24 Fe N2 O0.5 P3 Si | P -1 | 13.2134; 16.5453; 19.1158 107.944; 103.367; 104.913 | 3616.2 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544754 | CIF | C45 H69 Fe N5 Na O3 P3 Si | P 1 21/c 1 | 16.278; 12.177; 24.314 90; 90.733; 90 | 4819.1 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544755 | CIF | C35 H53 Fe N3 P3 Si | P -1 | 10.4778; 17.2329; 20.001 92.885; 96.497; 98.431 | 3541.2 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544756 | CIF | C73 H82 B F24 Fe N3 O1.5 P3 Si | P -1 | 12.6269; 16.1557; 20.397 86.951; 77.672; 72.605 | 3878.8 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544757 | CIF | C45 H69 Fe N5 Na O3 P3 Si | P n m a | 24.918; 16.256; 12.349 90; 90; 90 | 5002 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544758 | CIF | C39 H51 Cl Fe N3 P3 Si | P n a 21 | 38.962; 11.0406; 18.1487 90; 90; 90 | 7806.9 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544759 | CIF | C33 H45 Cl0 Fe N5 P3 Si | P 1 21 1 | 10.6457; 19.2443; 16.2208 90; 91.27; 90 | 3322.3 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544760 | CIF | C69 H70 B F24 Fe N4 O P3 Si | P -1 | 17.5105; 20.6792; 22.9097 102.798; 94.824; 111.77 | 7385 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544761 | CIF | C142 H160 Er5 F90 N47 O100 S30 | P c a 21 | 17.2096; 31.3584; 50.5444 90; 90; 90 | 27277.1 | Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V. Breaking the paradigm: record quindecim charged magnetic ionic liquids Mater. Horiz., 2017, 4, 217 |
| 1544762 | CIF | C5 H11 Mn N O6 | C 1 c 1 | 14.315; 8.311; 8.914 90; 120.651; 90 | 912.35 | Jain, Prashant; Stroppa, Alessandro; Nabok, Dmitrii; Marino, Antigone; Rubano, Andrea; Paparo, Domenico; Matsubara, Masakazu; Nakotte, Heinz; Fiebig, Manfred; Picozzi, Silvia; Eun Sang Choi; Anthony K Cheetham; Claudia Draxl; Naresh S Dalal; Vivien S Zapf Switchable electric polarization and ferroelectric domains in a metal-organic-framework npj Quantum Materials, 2016, 1, 16012 |
| 1544763 | CIF HKL Paper | C18 H20 O4 Si | C 1 2/c 1 | 15.869; 9.991; 12.328 90; 117.79; 90 | 1729.1 | Zhang, Lingling; Xia, Yan; Li, Dongfeng; Hou, Ruibin Dimethyl 4,4'-(dimethylsilanediyl)dibenzoate IUCrData, 2016, 1, x161887 |
| 1544764 | CIF HKL Paper | C134.9 H151.6 O11 P3 Rh | P 1 21/n 1 | 15.4222; 27.9355; 26.9314 90; 93.4633; 90 | 11581.6 | Selent, Detlef; Spannenberg, Anke; Börner, Armin {2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κ<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate IUCrData, 2016, 1, x161914 |
| 1544765 | CIF HKL Paper | C16 H18 O4 | P 1 21 1 | 10.4566; 5.9821; 12.204 90; 97.46; 90 | 756.93 | Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P. Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate IUCrData, 2016, 1, x161924 |
| 1544766 | CIF HKL Paper | C13 H13 Br N2 O3 | P 41 21 2 | 8.6944; 8.6944; 35.2843 90; 90; 90 | 2667.23 | Dhanabalan, Nallathambi; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Santhanaraj, K. Joseph; Razak, Ibrahim Abdul 2-Amino-5-bromopyridinium 2-phenoxyacetate IUCrData, 2016, 1, x161939 |
| 1544767 | CIF HKL Paper | C8 H7 N O4 | P 1 21/c 1 | 6.1364; 5.1034; 25.458 90; 95.937; 90 | 792.98 | Kennedy, Alan R.; Silva de Moraes, Lygia A monoclinic polymorph of 2-(4-nitrophenyl)acetic acid IUCrData, 2016, 1, x161932 |
| 1544768 | CIF HKL | C27 H45 I5 N6 Se3 | P -1 | 7.2438; 13.998; 20.1035 81.913; 86.409; 78.801 | 1978.46 | Schollmeyer, Dieter; Detert, Heiner 3-Methyl-4,5,6,7,8,9-hexahydrocycloocta[<i>d</i>][1,2,3]selenadiazol]-3-ium iodide triiodide (3/2/1) IUCrData, 2016, 1, x161950 |
| 1544769 | CIF HKL Paper | C12 H14 N2 O4 | P -1 | 7.467; 8.8307; 10.5426 106.833; 108.557; 99.42 | 605.2 | Novina, J. J.; Vasuki, G.; Suresh, M.; Viswanathan, Vijayan; Velmurugan, Devadasan Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate: a triclinic polymorph IUCrData, 2016, 1, x161937 |
| 1544770 | CIF HKL | C19 H11 Cl2 Hg N3 | P 1 21/c 1 | 5.0941; 22.946; 15.831 90; 96.229; 90 | 1839.5 | Zhang, Peng; Yang, Qi; Zhao, Minjian <i>catena</i>-Poly[[dichloridomercury(II)]-μ-3,5-bis[2-(pyridin-4-yl)ethynyl]pyridine-κ^2^<i>N</i>:<i>N</i>'] IUCrData, 2016, 1, x161951 |
| 1544771 | CIF HKL | C8 H11 N5 O | P -1 | 7.8989; 8.088; 8.2052 90.297; 113.319; 98.488 | 474.94 | El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 9-Ethyl-6-methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one IUCrData, 2016, 1, x161897 |
| 1544772 | CIF HKL Paper | C9 H8 N2 S | P 1 21/c 1 | 12.744; 11.482; 12.8707 90; 118.234; 90 | 1659.25 | Moussaif, Ahmed; Ramli, Youssef; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole IUCrData, 2016, 1, x161948 |
| 1544773 | CIF HKL | C11 H10 O3 | P 1 21/c 1 | 11.856; 11.8836; 6.8348 90; 92.044; 90 | 962.36 | Ezhilarasu, Tamilarasu; Balasubramanian, Sengottuvelan 3-Methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde IUCrData, 2016, 1, x161919 |
| 1544774 | CIF HKL Paper | C16 H11 N3 O | P -1 | 6.6849; 8.9428; 10.7445 103.935; 95.015; 96.86 | 614.44 | Rida, Mohammed; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T. (3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one IUCrData, 2016, 1, x161908 |
| 1544775 | CIF | C44 H36 N4 Si | P 1 21/c 1 | 24.4344; 6.2075; 30.306 90; 127.163; 90 | 3663.2 | Tang, Xiaojuan; Zheng, Chao; Chen, Yizhao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong Multicomponent Tandem Polymerizations of Aromatic Diynes, Terephthaloyl Chloride, and Hydrazines toward Functional Conjugated Polypyrazoles Macromolecules, 2016 |
| 1544776 | CIF | C41 H52 Cl8 N8 O6 Ru2 S2 | C 1 2/c 1 | 31.425; 9.0156; 34.41 90; 147.193; 90 | 5282 | Su, Wei; Younus, Hussein A.; Zhou, Kui; Khattak, Zafar A. K.; Chaemcheun, Somboon; Chen, Cheng; Verpoort, Francis Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand Catal. Sci. Technol., 2017, 7, 387 |
| 1544777 | CIF HKL Paper | C13 H17 N5 O2 | P 1 21/n 1 | 7.1482; 10.306; 19.705 90; 99.711; 90 | 1430.9 | Lahmidi, Sanae; Sebbar, Nada Kheira; Harmaoui, Abdallah; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. Ethyl (2<i>E</i>)-3-dimethylamino-2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)prop-2-enoate IUCrData, 2016, 1, x161946 |
| 1544778 | CIF HKL Paper | C16 H17 N O6 S | P -1 | 7.2771; 9.9612; 11.9257 78.778; 75.616; 72.829 | 793.16 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein; Lebegue, Nicolas; Albayati, Mustafa R. (5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione IUCrData, 2016, 1, x161959 |
| 1544779 | CIF HKL Paper | C5 H3 Br N4 | P 1 21/n 1 | 3.9511; 14.3306; 11.367 90; 94.574; 90 | 641.57 | Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S. 5-Bromo-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine IUCrData, 2016, 1, x161944 |
| 1544780 | CIF | C16 H32.72 N4 O12.36 Zr | P 4 c c | 13.0201; 13.0201; 13.1802 90; 90; 90 | 2234.3 | Pandya, Darpan N.; Bhatt, Nikunj; Yuan, Hong; Day, Cynthia S.; Ehrmann, Brandie M.; Wright, Marcus; Bierbach, Ulrich; Wadas, Thaddeus J. Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development. Chemical science, 2017, 8, 2309-2314 |
| 1544781 | CIF | C21 H28 O5 | P 1 21 1 | 7.8585; 13.8457; 8.4093 90; 106.247; 90 | 878.45 | Qiao, Yuben; Xu, Qianqian; Hu, Zhengxi; Li, Xiao-Nian; Xiang, Ming; Liu, Junjun; Huang, Jinfeng; Zhu, Hucheng; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui Diterpenoids of the Cassane Type from Caesalpinia decapetala Journal of Natural Products, 2016 |
| 1544782 | CIF | C30 H30 N4 O2 S2 Zn | F d d 2 | 36.662; 37.055; 5.1092 90; 90; 90 | 6940.9 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544783 | CIF | C28 H26 F2 N4 O6 S2 Zn | P 1 2/n 1 | 14.871; 4.9627; 20.315 90; 93.183; 90 | 1496.9 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544784 | CIF | C28 H20 F2 N4 S2 Zn | P 1 21/c 1 | 10.3095; 12.2083; 20.7566 90; 96.68; 90 | 2594.72 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544785 | CIF | C28 H20 F2 N4 S2 Zn | P n m a | 8.276; 24.824; 12.523 90; 90; 90 | 2573 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544786 | CIF | C8 H16 Cl2 N4 O5 Pt | P 1 21/c 1 | 12.2584; 10.9135; 21.9058 90; 104.66; 90 | 2835.2 | Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K. An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo Chem. Sci., 2017, 8, 2241 |
| 1544787 | CIF | C9 H20 Cl2 N4 O7 Pt | C 1 2/c 1 | 27.345; 10.1753; 12.3345 90; 101.328; 90 | 3365.1 | Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K. An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo Chem. Sci., 2017, 8, 2241 |
| 1544788 | CIF | C697 H897 Ag115 P12 S81 | P -1 | 29.4745; 35.8121; 48.4263 86.379; 75.637; 74.164 | 47638.4 | Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter [Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster Chem. Sci., 2017, 8, 2235 |
| 1544789 | CIF HKL Paper | C14 H17 N3 S | P 21 21 21 | 7.373; 10.7698; 17.1056 90; 90; 90 | 1358.28 | Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Hassan, Alaa A.; Abdel-Aziz, Ahmed T.; Albayati, Mustafa R. 4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione IUCrData, 2016, 1, x161968 |
| 1544790 | CIF HKL | C28 H24 N6 S4 | P 1 21/c 1 | 11.8139; 7.4803; 15.5204 90; 96.766; 90 | 1362 | Assoumatine, Tokouré; Stoeckli-Evans, Helen 2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine IUCrData, 2016, 1, x161977 |
| 1544791 | CIF HKL Paper | C22 H18 N2 O | P 1 21/c 1 | 14.6973; 5.9179; 19.8537 90; 93.461; 90 | 1723.67 | Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T. 1-Benzyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one IUCrData, 2016, 1, x161988 |
| 1544792 | CIF HKL Paper | C32 H48 O8 P2 S2 | P 1 21/c 1 | 13.6507; 18.8828; 14.5033 90; 103.279; 90 | 3638.5 | Detert, Heiner; Schollmeyer, Dieter 1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene IUCrData, 2016, 1, x161963 |
| 1544793 | CIF HKL Paper | C24 H24 N2 O | P 1 21/c 1 | 19.5024; 8.7503; 11.65 90; 100.846; 90 | 1952.58 | Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Manimekalai, A. <i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one oxime IUCrData, 2016, 1, x161982 |
| 1544794 | CIF HKL Paper | C12 H34 As2 Mn N2 O16 | P 1 21/c 1 | 15.204; 6.7388; 13.0699 90; 107.951; 90 | 1273.91 | Smith, Graham; Wermuth, Urs D. Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate IUCrData, 2016, 1, x161985 |
| 1544795 | CIF | C16 H19 Mo N O6 | P 1 21/n 1 | 6.9126; 7.6578; 31.895 90; 92.22; 90 | 1687.1 | Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions New J. Chem., 2017, 41, 594 |
| 1544796 | CIF | C16 H19 Mo N O6 | P -1 | 8.7538; 10.0269; 10.7193 97.063; 111.466; 95.831 | 857.95 | Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions New J. Chem., 2017, 41, 594 |
| 1544797 | CIF | C17 H21 Mo N O7 | P 1 21/c 1 | 19.61; 7.5974; 12.7835 90; 102.179; 90 | 1861.68 | Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions New J. Chem., 2017, 41, 594 |
| 1544798 | CIF | C18 H15 Mo N O5 | P -1 | 7.6444; 9.9107; 11.0535 72.13; 82.196; 88.111 | 789.61 | Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions New J. Chem., 2017, 41, 594 |
| 1544799 | CIF | C20 H21 Mo N O6 | P 1 21/c 1 | 7.9476; 14.9809; 16.765 90; 96.268; 90 | 1984.1 | Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions New J. Chem., 2017, 41, 594 |
| 1544800 | CIF | C12 H14 Cu N O4 | C 1 2/c 1 | 26.105; 12.399; 9.071 90; 97.138; 90 | 2913.3 | Goel, Nidhi Study of new Cu(II) metal-organic frameworks: Syntheses, structural, gas sorption and magnetic properties Inorganica Chimica Acta, 2016, 450, 330-336 |
| 1544801 | CIF | C26 H32 Cu2 N2 O8 | P -1 | 10.168; 11.494; 16.192 77.675; 72.28; 63.88 | 1611.5 | Goel, Nidhi Study of new Cu(II) metal-organic frameworks: Syntheses, structural, gas sorption and magnetic properties Inorganica Chimica Acta, 2016, 450, 330-336 |
| 1544802 | CIF | C35 H32 B2 Cl F18 N3 | P 1 21/n 1 | 11.379; 22.2822; 16.4411 90; 107.567; 90 | 3974.2 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544803 | CIF | C46 H51 B2 F18 N5 | C 1 2/c 1 | 12.936; 18.7832; 41.0326 90; 94.5442; 90 | 9938.7 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544804 | CIF | C31 H39.5 B F3.5 N5 O3 S | P -1 | 9.3972; 12.2337; 16.8072 73.1735; 77.1382; 68.1258 | 1701.94 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544805 | CIF | C12 H21 B F3 N5 O3 S | C m c 21 | 13.5787; 12.2769; 11.1774 90; 90; 90 | 1863.32 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544806 | CIF | C54 H53 B2 F24 N7 | P 21 21 21 | 12.6084; 19.7795; 24.1204 90; 90; 90 | 6015.3 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544807 | CIF | C35.38 H33.75 B2 Cl0.75 F18 N3 | I 1 2/a 1 | 25.1883; 12.192; 26.4276 90; 98.253; 90 | 8031.8 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544808 | CIF | C38.5 H35 B2 F18 N3 | P 1 21/n 1 | 12.2423; 22.642; 14.6138 90; 92.7542; 90 | 4046.12 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544809 | CIF | C14 H24 F6 Fe N24 O6 S2 | P -1 | 7.543; 11.336; 11.424 63.483; 89.755; 88.763 | 873.9 | Urtizberea, A.; Roubeau, O. Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound. Chemical science, 2017, 8, 2290-2295 |
| 1544810 | CIF | C14 H24 F6 Fe N24 O6 S2 | R -3 :H | 19.724; 19.724; 45.031 90; 90; 120 | 15172 | Urtizberea, A.; Roubeau, O. Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound. Chemical science, 2017, 8, 2290-2295 |
| 1544811 | CIF | C14 H6 Br2 F4 | P 1 21/c 1 | 10.453; 4.7776; 12.787 90; 91.545; 90 | 638.4 | Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui Ambipolar tetrafluorodiphenylethene-based donor–acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks Polym. Chem., 2017, 8, 879 |
| 1544812 | CIF | C22 H12 F4 S2 | C 1 2 1 | 18.983; 6.635; 28.718 90; 101.14; 90 | 3549 | Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui Ambipolar tetrafluorodiphenylethene-based donor–acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks Polym. Chem., 2017, 8, 879 |
| 1544813 | CIF | C33 H18 F6 S3 | P 1 21/n 1 | 6.538; 22.32; 17.876 90; 95.624; 90 | 2596.1 | Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks Polym. Chem., 2017, 8, 879 |
| 1544814 | CIF | C15 H18 O5 | P 1 21 1 | 10.2447; 8.1822; 16.059 90; 100.634; 90 | 1323.01 | Li, Hong-Lei; Li, Xiao-Ming; Li, Xin; Wang, Chen-Yin; Liu, Hui; Kassack, Matthias U.; Meng, Ling-Hong; Wang, Bin-Gui Antioxidant Hydroanthraquinones from the Marine Algal-Derived Endophytic Fungus Talaromyces islandicus EN-501. Journal of natural products, 2017, 80, 162-168 |
| 1544815 | CIF | C17 H18 O6 | P 21 21 21 | 6.1006; 15.0443; 16.0425 90; 90; 90 | 1472.37 | Luo, Qi; Wei, Xiao-Yi; Yang, Jing; Luo, Jin-Feng; Liang, Rui; Tu, Zheng-Chao; Cheng, Yong-Xian Spiro Meroterpenoids from Ganoderma applanatum. Journal of natural products, 2017, 80, 61-70 |
| 1544816 | CIF HKL Paper | C16 H14 Br N3 O2 | P 1 21/c 1 | 21.1444; 7.697; 21.2671 90; 118.073; 90 | 3054 | Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar Ethyl 2-(6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)acetate IUCrData, 2016, 1, x161999 |
| 1544817 | CIF HKL Paper | C13 H12 Cl N3 O2 | P 1 21/n 1 | 6.2796; 9.6912; 21.152 90; 95.294; 90 | 1281.8 | Lahmidi, Sanae; El Ouasif, Latifa; Jilalat, Alae Eddine; Al-Garadi, Wedad; Essassi, El Mokhtar; Mague, Joel T. 2-Methyl-3-(3-methylisoxazol-5-yl)-4-oxo-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride IUCrData, 2016, 1, x161978 |
| 1544818 | CIF HKL Paper | C16 H16 N2 O3 | P 1 21/c 1 | 23.3174; 8.2979; 7.226 90; 90.899; 90 | 1397.95 | El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T. (<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine IUCrData, 2016, 1, x161966 |
| 1544819 | CIF HKL Paper | C16 H14 Cl N O S | P c c n | 15.9745; 25.7276; 7.4153 90; 90; 90 | 3047.6 | Ravi, A. J.; Vinayaka, A. C.; Kumar, Shamantha; Sadashiva, M. P.; Devarajegowda, H. C. (2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one IUCrData, 2016, 1, x161994 |
| 1544820 | CIF HKL Paper | C16 H17 N3 O3 | P 1 21 1 | 8.715; 7.301; 12.113 90; 101.209; 90 | 756 | El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M. 4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2<i>H</i>-chromen-2-one IUCrData, 2016, 1, x161989 |
| 1544821 | CIF HKL Paper | C13 H14 O3 | P 1 21/a 1 | 9.2491; 18.1423; 14.3719 90; 96.61; 90 | 2395.6 | Boukharsa, Youness; Abba Touré, Hamadoun; Taoufik, Jamal; Benzeid, Hanane; Ansar, M'hammed (<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid IUCrData, 2016, 1, x162003 |
| 1544822 | CIF | C14 H10 N2 O2 | P b c a | 8.2; 12.4012; 21.182 90; 90; 90 | 2154 | Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science, 2017, 8, 2431-2435 |
| 1544823 | CIF | C15 H14 N2 O2 | P 1 21/n 1 | 8.73; 13.396; 11.372 90; 101.968; 90 | 1301 | Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science, 2017, 8, 2431-2435 |
| 1544824 | CIF | C66 H52 Cl12 N2 O4 | P 43 | 13.9364; 13.9364; 34.5285 90; 90; 90 | 6706.24 | Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh Enhanced intersystem crossing in core-twisted aromatics Chem. Sci., 2017, 8, 1776 |
| 1544825 | CIF | C104 H86 N2 O4 | P -1 | 11.4627; 11.8704; 15.645 76.067; 89.834; 72.77 | 1968.03 | Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh Enhanced intersystem crossing in core-twisted aromatics Chem. Sci., 2017, 8, 1776 |
| 1544826 | CIF | C17 H17 N O | P 1 21/n 1 | 6.3989; 11.27072; 19.0731 90; 92.0107; 90 | 1374.71 | Kim, Jungwon; Hong, Soon Hyeok Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones. Chemical science, 2017, 8, 2401-2406 |
| 1544827 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.4439; 7.6801; 19.4527 90; 118.711; 90 | 2547.75 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544828 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.459; 7.6795; 19.492 90; 118.687; 90 | 2555.3 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544829 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.4906; 7.6827; 19.5367 90; 118.651; 90 | 2567.23 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544830 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.513; 7.6986; 19.589 90; 118.61; 90 | 2583.4 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544831 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.52; 7.7018; 19.601 90; 118.593; 90 | 2587.4 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544832 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.527; 7.7049; 19.617 90; 118.58; 90 | 2591.8 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544833 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.53; 7.7094; 19.629 90; 118.57; 90 | 2595.6 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544834 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.533; 7.7136; 19.638 90; 118.556; 90 | 2598.9 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544835 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.539; 7.718; 19.652 90; 118.54; 90 | 2603.4 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544836 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.544; 7.7236; 19.666 90; 118.528; 90 | 2608.1 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544837 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.557; 7.7351; 19.684 90; 118.51; 90 | 2616.6 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544838 | CIF | C10 H16 I N O3 | P 1 c 1 | 19.559; 7.7357; 19.689 90; 118.499; 90 | 2618 | Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry, 2016 |
| 1544839 | CIF | C36 H42 N Na O9 S | P -1 | 9.6525; 10.0128; 20.198 94.526; 92.174; 117.703 | 1716.78 | Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes Macromolecules, 2017, 50, 83 |
| 1544840 | CIF | C54.5 H80 N Na O7 S | P -1 | 10.6133; 15.1843; 17.364 107.939; 92.806; 93.558 | 2650.3 | Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes Macromolecules, 2017, 50, 83 |
| 1544841 | CIF | C47 H63 K N O9 S | P -1 | 10.9876; 12.4673; 18.4805 76.475; 86.282; 88.815 | 2456.1 | Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes Macromolecules, 2017, 50, 83 |
| 1544842 | CIF | C29 H32 N2 Na O10 S | P 1 21/n 1 | 10.7318; 16.846; 16.1244 90; 91.924; 90 | 2913.5 | Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes Macromolecules, 2017, 50, 83 |
| 1544843 | CIF | C35 H28 N4 O | P 1 21/n 1 | 9.359; 10.6693; 27.872 90; 93.525; 90 | 2777.9 | Gao, Meng; Su, Huifang; Lin, Yuhan; Ling, Xia; Li, Shiwu; Qin, Anjun; Tang, Ben Zhong Photoactivatable aggregation-induced emission probes for lipid droplets-specific live cell imaging Chem. Sci., 2017, 8, 1763 |
| 1544844 | CIF HKL Paper | C31 H27 N | P 1 21/c 1 | 12.7365; 10.5803; 18.6662 90; 106.531; 90 | 2411.4 | Novina, J. J.; Vasuki, G.; Singh, Prachi; Thomas, K. R. Justin 9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine IUCrData, 2016, 1, x162006 |
| 1544845 | CIF HKL Paper | C17 H14 O3 | P 21 21 21 | 6.2439; 7.9982; 27.0113 90; 90; 90 | 1348.94 | Koh, Dongsoo 3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one IUCrData, 2016, 1, x162019 |
| 1544846 | CIF | Ca1.53 Fe0.49 Mg0.52 Na0.47 O7 Si1.99 | P -4 21 m | 7.8228; 7.8228; 5.0271 90; 90; 90 | 307.639 | Akasaka, M.; Nagashima, M.; Makino, K.; Ohashi, H. Distribution of Fe3+ in a synthetic (Ca,Na)2(Mg,Fe3+)Si2O7-melilite: 57Fe Mossbauer and X-ray Rietveld studies Journal of Mineralogical and Petrological Sciences, 2005, 100, 229-236 |
| 1544847 | CIF | H0.03 Mg1.97 O4 Si | F d -3 m | 8.065; 8.065; 8.065 90; 90; 90 | 524.58 | Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M. Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 0 GPa Journal of Mineralogical and Petrological Sciences, 2007, 102, 8-11 |
| 1544848 | CIF | H0.03 Mg1.97 O4 Si | F d -3 m | 8.014; 8.014; 8.014 90; 90; 90 | 514.69 | Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M. Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 3.2 GPa Journal of Mineralogical and Petrological Sciences, 2007, 102, 8-11 |
| 1544849 | CIF | H0.03 Mg1.97 O4 Si | F d -3 m | 7.996; 7.996; 7.996 90; 90; 90 | 511.2 | Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M. Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 5.0 GPa Journal of Mineralogical and Petrological Sciences, 2007, 102, 8-11 |
| 1544850 | CIF | H0.03 Mg1.97 O4 Si | F d -3 m | 7.962; 7.962; 7.962 90; 90; 90 | 504.74 | Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M. Pressure dependence of u parameter in ringwoodite up to 7.9 GPa Sample: 7.9 GPa Journal of Mineralogical and Petrological Sciences, 2007, 102, 8-11 |
| 1544851 | CIF | C24 H28 N2 O10 | P 1 21/c 1 | 6.241; 27.3263; 6.9456 90; 99.4148; 90 | 1168.57 | Sui, Qi; Ren, Xiang-Ting; Dai, Yu-Xiang; Wang, Kai; Li, Wen-Tao; Gong, Teng; Fang, Jia-Jia; Zou, Bo; Gao, En-Qing; Wang, Lin Piezochromism and hydrochromism through electron transfer: new stories for viologen materials Chem. Sci., 2017, 8, 2758 |
| 1544852 | CIF | Al9.21 Ca3.64 H50.4 K0.4 Na1.14 O97.2 Si26.88 Sr0.21 | C 1 2/m 1 | 17.716; 17.78; 7.438 90; 116.43; 90 | 2098 | Khobaer, T.M.; Kuribayashi, T.; Komatsu, K.; Kudoh, Y. The partially dehydrated structure of natural heulandite: An in situ high temperature single crystal X-ray diffraction study Sample: room temperature Journal of Mineralogical and Petrological Sciences, 2008, 103, 61-76 |
| 1544853 | CIF | Al9.21 Ca3.64 H50.4 K0.4 Na1.14 O97.2 Si26.88 Sr0.21 | C 1 2/m 1 | 17.694; 17.801; 7.433 90; 116.41; 90 | 2096.8 | Khobaer, T.M.; Kuribayashi, T.; Komatsu, K.; Kudoh, Y. The partially dehydrated structure of natural heulandite: An in situ high temperature single crystal X-ray diffraction study Sample: 100 C Journal of Mineralogical and Petrological Sciences, 2008, 103, 61-76 |
| 1544854 | CIF | Al9.21 Ca3.64 H50.4 K0.4 Na1.14 O97.2 Si26.88 Sr0.21 | C 1 2/m 1 | 17.725; 17.63; 7.459 90; 116.79; 90 | 2080.7 | Khobaer, T.M.; Kuribayashi, T.; Komatsu, K.; Kudoh, Y. The partially dehydrated structure of natural heulandite: An in situ high temperature single crystal X-ray diffraction study Sample: 150 C Journal of Mineralogical and Petrological Sciences, 2008, 103, 61-76 |
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