Crystallography Open Database

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Searching journal of publication like 'Chemical Science' volume of publication is 8

COD ID: 1543756
CIF file Formula: - C77 H77 Cl2.99 N6 Ni -
Comments: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science 8(1) (2017) 189-199
Space group: C 1 2/c 1
Cell volume: 13330
Cell parameters: 36.653; 21.504; 17.115; 90; 98.833; 90;  

COD ID: 1543757
CIF file Formula: - C84.5 H83 N5 Ni O -
Comments: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science 8(1) (2017) 189-199
Space group: P 1 21/n 1
Cell volume: 6609
Cell parameters: 21.181; 10.751; 29.482; 90; 100.128; 90;  

COD ID: 1543758
CIF file Formula: - C75 H77 Cl1.2 N5 Ni O1.3 -
Comments: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science 8(1) (2017) 189-199
Space group: P -1
Cell volume: 3325
Cell parameters: 12.375; 16.832; 18.491; 110.391; 98.378; 106.725;  

COD ID: 1543759
CIF file Formula: - C74.75 H73.75 Cl4.25 N5 Ni O -
Comments: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science 8(1) (2017) 189-199
Space group: P -1
Cell volume: 6400.6
Cell parameters: 18.141; 20.0791; 20.299; 62.0374; 79.03; 87.782;  

COD ID: 1543760
CIF file Formula: - C87 H101 Cl10 N5 Ni O Sb -
Comments: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science 8(1) (2017) 189-199
Space group: I 41/a
Cell volume: 35798
Cell parameters: 57.941; 57.941; 10.6631; 90; 90; 90;  

COD ID: 1543761
CIF file Formula: - C165 H150 Cl19 N10 Ni2 O5 -
Comments: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science 8(1) (2017) 189-199
Space group: C 1 2/c 1
Cell volume: 31512
Cell parameters: 72.72; 13.4081; 33.152; 90; 102.869; 90;  

COD ID: 1543762
CIF file Formula: - C74.5 H76 Cl9 N5 Ni Sb -
Comments: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science 8(1) (2017) 189-199
Space group: P 1 21/n 1
Cell volume: 7448
Cell parameters: 27.888; 9.758; 29.846; 90; 113.508; 90;  

COD ID: 1543770
CIF file Formula: - C74 H79.5 F12 N8.5 O5 P2 Zn -
Comments: Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system. Chemical science 8(1) (2017) 142-149
Space group: P -1
Cell volume: 3730
Cell parameters: 14.343; 14.782; 18.878; 102.538; 103.764; 97.046;  

COD ID: 1543771
CIF file Formula: - C85 H75.5 F12 N10.5 O4 P2 Zn -
Comments: Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system. Chemical science 8(1) (2017) 142-149
Space group: P -1
Cell volume: 4091
Cell parameters: 13.732; 15.892; 19.26; 103.178; 90.598; 91.07;  

COD ID: 1543772
CIF file Formula: - C40 H34 N4 O2 -
Comments: Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system. Chemical science 8(1) (2017) 142-149
Space group: P 1
Cell volume: 814.7
Cell parameters: 5.559; 11.24; 13.638; 75.767; 83.93; 81.445;  

COD ID: 1543854
CIF file Formula: - C31 H79 Gd2 K N4 Si8 -
Comments: Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. Chemical science 8(1) (2017) 231-240
Space group: P 1 21/n 1
Cell volume: 5118.3
Cell parameters: 14.17; 14.2848; 25.4039; 90; 95.518; 90;  

COD ID: 1543855
CIF file Formula: - C31 H79 Dy2 K N4 Si8 -
Comments: Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. Chemical science 8(1) (2017) 231-240
Space group: P 1 21/n 1
Cell volume: 5074.1
Cell parameters: 14.1259; 14.2954; 25.2343; 90; 95.2741; 90;  

COD ID: 1543856
CIF file Formula: - C31 H79 Er2 K N4 Si8 -
Comments: Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. Chemical science 8(1) (2017) 231-240
Space group: P 1 21/n 1
Cell volume: 5038.3
Cell parameters: 14.0946; 14.2965; 25.1055; 90; 95.17; 90;  

COD ID: 1543857
CIF file Formula: - C39 H95 Er2 K N4 O2 Si8 -
Comments: Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. Chemical science 8(1) (2017) 231-240
Space group: C 1 2/c 1
Cell volume: 5947.6
Cell parameters: 20.1042; 18.7574; 16.5696; 90; 107.851; 90;  

COD ID: 1543891
CIF file Formula: - C18 H22 N O2 Rh -
Comments: Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science 8(1) (2017) 169-173
Space group: P 1 21/c 1
Cell volume: 1684.21
Cell parameters: 7.6555; 13.0617; 16.9622; 90; 96.793; 90;  

COD ID: 1543892
CIF file Formula: - C20 H12 N2 O S2 -
Comments: Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science 8(1) (2017) 169-173
Space group: P b c a
Cell volume: 3217.3
Cell parameters: 7.3899; 13.5531; 32.123; 90; 90; 90;  

COD ID: 1543893
CIF file Formula: - C15 H12 N2 O2 S -
Comments: Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science 8(1) (2017) 169-173
Space group: P 21 21 21
Cell volume: 1300.9
Cell parameters: 4.7941; 15.333; 17.698; 90; 90; 90;  

COD ID: 1543894
CIF file Formula: - C21 H14 N2 O2 S -
Comments: Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science 8(1) (2017) 169-173
Space group: P -1
Cell volume: 808.4
Cell parameters: 4.6897; 12.449; 15.119; 109.35; 96.794; 99.101;  

COD ID: 1543908
CIF file Formula: - C26 H32 N2 O2 -
Comments: Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science 8(1) (2017) 507-514
Space group: C 1 2/c 1
Cell volume: 4649.2
Cell parameters: 40.091; 7.8348; 16.111; 90; 113.26; 90;  

COD ID: 1543909
CIF file Formula: - C19 H24 O6 -
Comments: Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science 8(1) (2017) 507-514
Space group: P 21 21 21
Cell volume: 1651.44
Cell parameters: 8.2463; 10.3683; 19.3151; 90; 90; 90;  

COD ID: 1543910
CIF file Formula: - C19 H22 O4 -
Comments: Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science 8(1) (2017) 507-514
Space group: P 1 21 1
Cell volume: 789.1
Cell parameters: 11.7563; 5.3917; 12.861; 90; 104.529; 90;  

COD ID: 1543911
CIF file Formula: - C19 H22 O5 -
Comments: Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science 8(1) (2017) 507-514
Space group: P 1 21 1
Cell volume: 803.61
Cell parameters: 6.9222; 11.147; 10.4409; 90; 94.07; 90;  

COD ID: 1543912
CIF file Formula: - C19 H22 O6 -
Comments: Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science 8(1) (2017) 507-514
Space group: P 21 21 21
Cell volume: 1641.02
Cell parameters: 8.2576; 10.4049; 19.0995; 90; 90; 90;  

COD ID: 1543913
CIF file Formula: - C19 H23 Br O5 -
Comments: Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science 8(1) (2017) 507-514
Space group: P 21 21 21
Cell volume: 1721.39
Cell parameters: 7.6137; 9.3584; 24.1592; 90; 90; 90;  

COD ID: 1543914
CIF file Formula: - C19 H24 O5 -
Comments: Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science 8(1) (2017) 507-514
Space group: P 21 21 21
Cell volume: 1641.2
Cell parameters: 6.2703; 11.2931; 23.177; 90; 90; 90;  

COD ID: 1543915
CIF file Formula: - C19 H24 O5 -
Comments: Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M. Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade. Chemical science 8(1) (2017) 507-514
Space group: P 21 21 21
Cell volume: 3345.33
Cell parameters: 10.4079; 14.7042; 21.8592; 90; 90; 90;  

COD ID: 1543941
CIF file Formula: - C82 H14 O2 -
Comments: Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells. Chemical science 8(1) (2017) 181-188
Space group: P 1 21/c 1
Cell volume: 4385.9
Cell parameters: 10.9852; 20.5331; 19.4487; 90; 91.193; 90;  

COD ID: 1543942
CIF file Formula: - C88 H24 O4 -
Comments: Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells. Chemical science 8(1) (2017) 181-188
Space group: P 42/m b c
Cell volume: 9653
Cell parameters: 26.123; 26.123; 14.146; 90; 90; 90;  

COD ID: 1543943
CIF file Formula: - C91 H31 O4 -
Comments: Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells. Chemical science 8(1) (2017) 181-188
Space group: P 1 21/n 1
Cell volume: 4993.6
Cell parameters: 10.147; 23.719; 21.227; 90; 102.193; 90;  

COD ID: 1543947
CIF file Formula: - C37 H28 Cl2 F10 Ir N4 O P -
Comments: Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes Chem. Sci. 8(1) (2017) 631
Space group: P -1
Cell volume: 1886.41
Cell parameters: 10.5808; 13.0767; 14.3976; 93.447; 106.228; 97.527;  

COD ID: 1543948
CIF file Formula: - C35 H26 Cl2 F10 Ir N4 O2 P -
Comments: Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes Chem. Sci. 8(1) (2017) 631
Space group: P 1 21/c 1
Cell volume: 3516.18
Cell parameters: 9.3965; 39.4086; 9.8195; 90; 104.761; 90;  

COD ID: 1543949
CIF file Formula: - C34 H27.5 F3 Ir N4 O2 P0.5 -
Comments: Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes Chem. Sci. 8(1) (2017) 631
Space group: C 1 2/c 1
Cell volume: 6830.7
Cell parameters: 39.1832; 9.6185; 19.2745; 90; 109.894; 90;  

COD ID: 1544001
CIF file Formula: - C88 H70 O -
Comments: Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes. Chemical science 8(2) (2017) 1068-1074
Space group: P 1 21/c 1
Cell volume: 8493.2
Cell parameters: 15.505; 34.4906; 17.2521; 90; 112.99; 90;  

COD ID: 1544002
CIF file Formula: - C47 H28 O5 -
Comments: Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes. Chemical science 8(2) (2017) 1068-1074
Space group: P 1 21/c 1
Cell volume: 3019.1
Cell parameters: 7.5395; 34.5192; 11.7823; 90; 100.084; 90;  

COD ID: 1544003
CIF file Formula: - C46 H22 Cl2 O5 -
Comments: Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes. Chemical science 8(2) (2017) 1068-1074
Space group: P -1
Cell volume: 1592.4
Cell parameters: 11.664; 12.471; 13.809; 116.004; 114.439; 91.219;  

COD ID: 1544004
CIF file Formula: - C50 H33 O5 -
Comments: Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes. Chemical science 8(2) (2017) 1068-1074
Space group: P -1
Cell volume: 3380.5
Cell parameters: 13.1702; 17.3964; 17.5084; 63.486; 70.365; 81.999;  

COD ID: 1544005
CIF file Formula: - C2.545 H1.636 N0.364 O0.182 -
Comments: Zhang, Jing Nan; Kang, Hui; Li, Nan; Zhou, Shi Ming; Sun, Hua Ming; Yin, Shi Wei; Zhao, Na; Tang, Ben Zhong Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission. Chemical science 8(1) (2017) 577-582
Space group: P -1
Cell volume: 575.83
Cell parameters: 6.5174; 9.8469; 10.3476; 113.309; 95.997; 104.217;  

COD ID: 1544006
CIF file Formula: - C51 H88 N Na Ni O14 P2 -
Comments: Yoo, Changho; Lee, Yunho Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe Chem. Sci. 8(1) (2017) 600
Space group: P 1 21/n 1
Cell volume: 5476.9
Cell parameters: 16.7564; 15.4421; 21.3159; 90; 96.792; 90;  

COD ID: 1544007
CIF file Formula: - C53 H80 Fe N2 Ni O2 P4 -
Comments: Yoo, Changho; Lee, Yunho Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe Chem. Sci. 8(1) (2017) 600
Space group: P 1 21/n 1
Cell volume: 5429.1
Cell parameters: 10.1896; 26.231; 20.6309; 90; 100.088; 90;  

COD ID: 1544031
CIF file Formula: - C144 H72 Cl3 Hf12 Ir3 N12 O64 -
Comments: Wang, Yingxia; Cui, Hao; Wei, Zhang-Wen; Wang, Hai-Ping; Zhang, Li; Su, Cheng-Yong Engineering catalytic coordination space in a chemically stable Ir-porphyrin MOF with a confinement effect inverting conventional Si-H insertion chemoselectivity. Chemical science 8(1) (2017) 775-780
Space group: I m -3 m
Cell volume: 56273
Cell parameters: 38.3207; 38.3207; 38.3207; 90; 90; 90;  

COD ID: 1544032
CIF file Formula: - C27 H32 F N S2 -
Comments: Cho, Illhun; Jeon, Nam Joong; Kwon, Oh Kyu; Kim, Dong Won; Jung, Eui Hyuk; Noh, Jun Hong; Seo, Jangwon; Seok, Sang Il; Park, Soo Young Indolo[3,2-b]indole-based crystalline hole-transporting material for highly efficient perovskite solar cells. Chemical science 8(1) (2017) 734-741
Space group: P -1
Cell volume: 1234.83
Cell parameters: 5.5352; 13.7138; 17.7912; 68.191; 82.836; 80.889;  

COD ID: 1544138
CIF file Formula: - C28 H33 N O5 -
Comments: Nairoukh, Zackaria; Kumar, Gunda G K S Narayana; Minko, Yury; Marek, Ilan Enantioselective allylic alkylation of stereodefined polysubstituted copper enolates as an entry to acyclic quaternary carbon stereocentres. Chemical science 8(1) (2017) 627-630
Space group: P 21 21 21
Cell volume: 2577
Cell parameters: 6.003; 14.84; 28.93; 90; 90; 90;  

COD ID: 1544149
CIF file Formula: - C47 H43 B2 Cl2 F20 P -
Comments: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science 8(2) (2017) 1097-1104
Space group: P -1
Cell volume: 2435.05
Cell parameters: 10.1634; 14.7985; 17.1628; 96.74; 97.62; 105.399;  

COD ID: 1544150
CIF file Formula: - C48 H41 B2 Cl2 F20 O2 P -
Comments: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science 8(2) (2017) 1097-1104
Space group: P 1 21/n 1
Cell volume: 5333.4
Cell parameters: 13.061; 22.03; 18.545; 90; 91.787; 90;  

COD ID: 1544151
CIF file Formula: - C29 H8 B2 F20 -
Comments: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science 8(2) (2017) 1097-1104
Space group: P 1 21/c 1
Cell volume: 2760.2
Cell parameters: 16.4031; 6.7783; 25.0981; 90; 98.45; 90;  

COD ID: 1544152
CIF file Formula: - C29 H8 B2 F20 -
Comments: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science 8(2) (2017) 1097-1104
Space group: P 1 21/c 1
Cell volume: 2747.8
Cell parameters: 10.7742; 9.7124; 26.4759; 90; 97.347; 90;  

COD ID: 1544153
CIF file Formula: - C42 H39 B2 Cl2 F20 P -
Comments: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science 8(2) (2017) 1097-1104
Space group: P 1 21/n 1
Cell volume: 4581.2
Cell parameters: 13.0097; 21.1601; 17.7134; 90; 110.035; 90;  

COD ID: 1544154
CIF file Formula: - C41 H37 B2 F20 P -
Comments: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science 8(2) (2017) 1097-1104
Space group: P 1 21/n 1
Cell volume: 4629.7
Cell parameters: 12.8848; 21.515; 17.7497; 90; 109.796; 90;  

COD ID: 1544155
CIF file Formula: - C44 H39 B2 Cl4 F20 O2 P -
Comments: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science 8(2) (2017) 1097-1104
Space group: P 1 21/n 1
Cell volume: 4781.3
Cell parameters: 12.8388; 20.0253; 18.7529; 90; 97.393; 90;  

COD ID: 1544156
CIF file Formula: - C42 H35 B2 F20 O2 P -
Comments: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. Chemical science 8(2) (2017) 1097-1104
Space group: P -1
Cell volume: 2120.66
Cell parameters: 10.0179; 11.2774; 19.6359; 89.016; 87.552; 73.104;  

COD ID: 1544158
CIF file Formula: - C34 H33 F4 I N4 O -
Comments: Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci. 8(2) (2017) 938
Space group: P 1 21/n 1
Cell volume: 3172.8
Cell parameters: 12.469; 17.723; 15.596; 90; 112.991; 90;  

COD ID: 1544159
CIF file Formula: - C32 H34 F4 I N3 O2 -
Comments: Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci. 8(2) (2017) 938
Space group: P 21 21 21
Cell volume: 3127.1
Cell parameters: 8.4431; 11.7892; 31.416; 90; 90; 90;  

COD ID: 1544160
CIF file Formula: - C37 H42 F4 I N5 O -
Comments: Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci. 8(2) (2017) 938
Space group: I 1 2/a 1
Cell volume: 7376
Cell parameters: 20.258; 13.9884; 26.734; 90; 103.187; 90;  

COD ID: 1544161
CIF file Formula: - C29 H28 F4 I N3 O -
Comments: Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci. 8(2) (2017) 938
Space group: P 1 21/n 1
Cell volume: 8974
Cell parameters: 25.213; 13.978; 27.637; 90; 112.879; 90;  

COD ID: 1544162
CIF file Formula: - C29 H34 N2 O6 S -
Comments: Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B. Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry. Chemical science 8(1) (2017) 697-700
Space group: I 41/a
Cell volume: 15605.8
Cell parameters: 29.2891; 29.2891; 18.1917; 90; 90; 90;  

COD ID: 1544182
CIF file Formula: - C105 H192 Dy4 N12 O24 -
Comments: Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet. Chemical science 8(2) (2017) 1178-1185
Space group: C 1 2/c 1
Cell volume: 12438.7
Cell parameters: 28.1117; 20.1279; 22.8674; 90; 105.985; 90;  

COD ID: 1544183
CIF file Formula: - C100 H136 N6 P4 Ti2 -
Comments: Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science 8(2) (2017) 1209-1224
Space group: C 1 2/c 1
Cell volume: 9215.1
Cell parameters: 30.5846; 15.6055; 25.1965; 90; 129.98; 90;  

COD ID: 1544184
CIF file Formula: - C110 H176 N6 P6 Ti2 -
Comments: Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science 8(2) (2017) 1209-1224
Space group: I 1 2/a 1
Cell volume: 5396.5
Cell parameters: 18.5929; 12.9042; 22.7421; 90; 98.499; 90;  

COD ID: 1544185
CIF file Formula: - C47 H71 N3 P2 Si Ti -
Comments: Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science 8(2) (2017) 1209-1224
Space group: P 1 21/c 1
Cell volume: 9437.3
Cell parameters: 30.336; 12.1037; 29.271; 90; 118.588; 90;  

COD ID: 1544186
CIF file Formula: - C48 H72.8 N3 O P2 Ti -
Comments: Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science 8(2) (2017) 1209-1224
Space group: P 1 21/c 1
Cell volume: 4592.4
Cell parameters: 15.3708; 12.8618; 23.2563; 90; 92.737; 90;  

COD ID: 1544187
CIF file Formula: - C44 H62 N2 O P2 Ti -
Comments: Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science 8(2) (2017) 1209-1224
Space group: P 1 21/c 1
Cell volume: 4142.8
Cell parameters: 13.5295; 19.597; 16.8163; 90; 111.694; 90;  

COD ID: 1544188
CIF file Formula: - C50 H77 N3 P2 Ti -
Comments: Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science 8(2) (2017) 1209-1224
Space group: P 21 21 21
Cell volume: 4887.4
Cell parameters: 12.7371; 14.7015; 26.1005; 90; 90; 90;  

COD ID: 1544196
CIF file Formula: - C18 H17 N O2 -
Comments: Semakul, Natthawat; Jackson, Kelvin E.; Paton, Robert S.; Rovis, Tomislav Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C-H activation. Chemical science 8(2) (2017) 1015-1020
Space group: P 1 21/n 1
Cell volume: 1428.53
Cell parameters: 8.5035; 7.1303; 23.6793; 90; 95.742; 90;  

COD ID: 1544197
CIF file Formula: - C34 H33 B2 F8 N5 O Pd -
Comments: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science 8(1) (2017) 85-90
Space group: P -1
Cell volume: 1703.87
Cell parameters: 9.1646; 10.8129; 17.358; 86.495; 85.651; 84.191;  

COD ID: 1544198
CIF file Formula: - C46 H42 N6 O2 Pd -
Comments: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science 8(1) (2017) 85-90
Space group: P -1
Cell volume: 1069.19
Cell parameters: 8.88787; 10.65997; 12.1038; 101.284; 100.453; 102.182;  

COD ID: 1544199
CIF file Formula: - C60 H55 B2 F8 N6 O2 Pd -
Comments: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science 8(1) (2017) 85-90
Space group: P -1
Cell volume: 2805.98
Cell parameters: 13.2547; 14.2678; 15.5271; 95.506; 93.223; 105.522;  

COD ID: 1544200
CIF file Formula: - C23 H21 N3 O -
Comments: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science 8(1) (2017) 85-90
Space group: P 1 21/n 1
Cell volume: 1878.78
Cell parameters: 11.3565; 11.5389; 15.0221; 90; 107.367; 90;  

COD ID: 1544201
CIF file Formula: - C27 H20 F N3 O -
Comments: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science 8(1) (2017) 85-90
Space group: P -1
Cell volume: 2184.84
Cell parameters: 12.2208; 12.9781; 15.6515; 90.05; 96.32; 117.495;  

COD ID: 1544202
CIF file Formula: - C30 H27 N3 O -
Comments: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science 8(1) (2017) 85-90
Space group: P 1 21/c 1
Cell volume: 2438.14
Cell parameters: 18.8592; 7.68843; 18.4442; 90; 114.263; 90;  

COD ID: 1544203
CIF file Formula: - C54 H40 F2 N6 O2 Pd -
Comments: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science 8(1) (2017) 85-90
Space group: P -1
Cell volume: 3174.3
Cell parameters: 10.7056; 16.7664; 18.6108; 97.072; 99.663; 102.242;  

COD ID: 1544204
CIF file Formula: - C57 H41.5 F8 N6.5 O8 S2 Zn -
Comments: Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination. Chemical science 8(1) (2017) 85-90
Space group: P -1
Cell volume: 6230.5
Cell parameters: 15.7265; 20.4033; 21.0479; 82.8458; 82.6021; 69.0081;  

COD ID: 1544205
CIF file Formula: - C17 H13 N3 O2 -
Comments: Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci. 8(2) (2017) 946
Space group: P c a 21
Cell volume: 1386.1
Cell parameters: 13.283; 13.585; 7.6811; 90; 90; 90;  

COD ID: 1544206
CIF file Formula: - C13 H8 Au I2 N -
Comments: Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci. 8(2) (2017) 946
Space group: P 1 21/c 1
Cell volume: 1298
Cell parameters: 10.4599; 13.687; 10.111; 90; 116.27; 90;  

COD ID: 1544207
CIF file Formula: - C18 H13 Au F6 I N2 Sb -
Comments: Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci. 8(2) (2017) 946
Space group: P 1 21/c 1
Cell volume: 4006
Cell parameters: 14.26; 20.667; 14.033; 90; 104.38; 90;  

COD ID: 1544209
CIF file Formula: - C99 H71 Cl3 N6 -
Comments: Park, In Seob; Komiyama, Hideaki; Yasuda, Takuma Pyrimidine-based twisted donor-acceptor delayed fluorescence molecules: a new universal platform for highly efficient blue electroluminescence. Chemical science 8(2) (2017) 953-960
Space group: P -1
Cell volume: 1897
Cell parameters: 10.6057; 13.3692; 14.5882; 80.422; 78.548; 70.256;  

COD ID: 1544210
CIF file Formula: - C42 H22 F14 N2 Na O7 -
Comments: Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination Chem. Sci. 8(2) (2017) 1469
Space group: P -1
Cell volume: 2649.3
Cell parameters: 10.857; 15.141; 17.359; 108.566; 96.63; 96.91;  

COD ID: 1544211
CIF file Formula: - C14 H5 F6 N O2 -
Comments: Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination Chem. Sci. 8(2) (2017) 1469
Space group: P -1
Cell volume: 1293.7
Cell parameters: 7.5465; 7.9565; 22.733; 84.375; 89.317; 72.275;  

COD ID: 1544221
CIF file Formula: - C57 H87 Cu N5 O6 -
Comments: Dhar, Debanjan; Yee, Gereon M.; Markle, Todd F.; Mayer, James M.; Tolman, William B. Reactivity of the copper(iii)-hydroxide unit with phenols Chem. Sci. 8(2) (2017) 1075
Space group: P -1
Cell volume: 2817.6
Cell parameters: 12.6607; 15.4354; 16.1838; 101.482; 112.975; 93.732;  

COD ID: 1544232
CIF file Formula: - C25 H20 F3 N3 O4 S2 -
Comments: Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique The dual role of thiourea in the thiotrifluoromethylation of alkenes. Chemical science 8(2) (2017) 1195-1199
Space group: P 1 21/n 1
Cell volume: 2386.33
Cell parameters: 6.848; 20.4301; 17.057; 90; 90.304; 90;  

COD ID: 1544233
CIF file Formula: - C26 H22 F3 N3 O4 S2 -
Comments: Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique The dual role of thiourea in the thiotrifluoromethylation of alkenes. Chemical science 8(2) (2017) 1195-1199
Space group: P -1
Cell volume: 1248.09
Cell parameters: 7.4653; 9.9343; 17.6618; 89.239; 85.681; 72.865;  

COD ID: 1544234
CIF file Formula: - C18 H17 F3 N2 O S -
Comments: Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique The dual role of thiourea in the thiotrifluoromethylation of alkenes. Chemical science 8(2) (2017) 1195-1199
Space group: P 1 21/n 1
Cell volume: 1729.45
Cell parameters: 15.2695; 5.9545; 19.0281; 90; 91.54; 90;  

COD ID: 1544235
CIF file Formula: - C22 H25 N O3 -
Comments: Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes. Chemical science 8(2) (2017) 1238-1242
Space group: P 21 21 21
Cell volume: 2019.05
Cell parameters: 6.05221; 17.0223; 19.5981; 90; 90; 90;  

COD ID: 1544236
CIF file Formula: - C22 H26 N2 O2 -
Comments: Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes. Chemical science 8(2) (2017) 1238-1242
Space group: P 1 21 1
Cell volume: 1923.79
Cell parameters: 9.20362; 10.9688; 19.3712; 90; 100.345; 90;  

COD ID: 1544237
CIF file Formula: - C64 H102 Dy2 O8 -
Comments: Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science 8(2) (2017) 1288-1294
Space group: P b c a
Cell volume: 6270.4
Cell parameters: 19.3566; 15.6297; 20.726; 90; 90; 90;  

COD ID: 1544238
CIF file Formula: - C64 H102 O8 Y2 -
Comments: Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science 8(2) (2017) 1288-1294
Space group: P b c a
Cell volume: 6257.6
Cell parameters: 19.3525; 15.6285; 20.6896; 90; 90; 90;  

COD ID: 1544239
CIF file Formula: - C64 H102 Gd2 O8 -
Comments: Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science 8(2) (2017) 1288-1294
Space group: P b c a
Cell volume: 6300.36
Cell parameters: 19.3419; 15.68151; 20.772; 90; 90; 90;  

COD ID: 1544247
CIF file Formula: - C26 H17 N3 O6 -
Comments: Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials Chem. Sci. 8(2) (2017) 1163
Space group: P 1 21/n 1
Cell volume: 2723.5
Cell parameters: 14.7815; 9.0701; 21.2106; 90; 106.718; 90;  

COD ID: 1544248
CIF file Formula: - C26 H16 N4 O8 -
Comments: Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials Chem. Sci. 8(2) (2017) 1163
Space group: P 42/n
Cell volume: 5326.15
Cell parameters: 19.9155; 19.9155; 13.4286; 90; 90; 90;  

COD ID: 1544249
CIF file Formula: - C26 H18 N2 O4 -
Comments: Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials Chem. Sci. 8(2) (2017) 1163
Space group: P 1 21/c 1
Cell volume: 2114.53
Cell parameters: 10.52308; 8.79827; 22.9441; 90; 95.4899; 90;  

COD ID: 1544257
CIF file Formula: - C37 H59 Na O6 Si4 -
Comments: Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science 8(2) (2017) 1316-1328
Space group: C 1 2/c 1
Cell volume: 8411
Cell parameters: 23.272; 9.7485; 37.173; 90; 94.149; 90;  

COD ID: 1544258
CIF file Formula: - C16 H39 Li O6 Si3 -
Comments: Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science 8(2) (2017) 1316-1328
Space group: C 1 c 1
Cell volume: 2494
Cell parameters: 9.531; 17.403; 15.039; 90; 90.873; 90;  

COD ID: 1544259
CIF file Formula: - C15 H39 Ge Na O6 Si3 -
Comments: Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science 8(2) (2017) 1316-1328
Space group: P 1 21/c 1
Cell volume: 2685.8
Cell parameters: 15.729; 9.9209; 17.212; 90; 90.3515; 90;  

COD ID: 1544260
CIF file Formula: - C15 H39 Ge K O6 Si3 -
Comments: Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science 8(2) (2017) 1316-1328
Space group: P 1 21/n 1
Cell volume: 2620.6
Cell parameters: 8.141; 19.245; 16.727; 90; 90.528; 90;  

COD ID: 1544261
CIF file Formula: - C16 H39 K O6 Si3 -
Comments: Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science 8(2) (2017) 1316-1328
Space group: P 1 21/n 1
Cell volume: 2609
Cell parameters: 8.698; 18.417; 16.289; 90; 90.2; 90;  

COD ID: 1544262
CIF file Formula: - C13 H10 N2 O2 -
Comments: Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian Rh(iii)-catalyzed double C‒H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis Chem. Sci. 8(2) (2017) 1303
Space group: P 21 21 21
Cell volume: 1026.3
Cell parameters: 5.2167; 10.4562; 18.815; 90; 90; 90;  

COD ID: 1544277
CIF file Formula: - C17 H31 I O P2 -
Comments: Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci. 8(2) (2017) 1463
Space group: P 1 21/c 1
Cell volume: 2005.69
Cell parameters: 10.0682; 13.5159; 14.7514; 90; 92.352; 90;  

COD ID: 1544278
CIF file Formula: - C14 H26 P2 -
Comments: Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci. 8(2) (2017) 1463
Space group: P 1 21/n 1
Cell volume: 1493.09
Cell parameters: 8.4848; 12.9532; 14.0671; 90; 105.04; 90;  

COD ID: 1544279
CIF file Formula: - C14 H22 Cl6 I2 P2 -
Comments: Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci. 8(2) (2017) 1463
Space group: C 1 2/c 1
Cell volume: 5037.9
Cell parameters: 23.5655; 10.2998; 20.9628; 90; 98.051; 90;  

COD ID: 1544280
CIF file Formula: - C27 H46 Ni O2 P2 -
Comments: Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci. 8(2) (2017) 1463
Space group: P 21 21 21
Cell volume: 2707.9
Cell parameters: 9.6408; 12.6202; 22.256; 90; 90; 90;  

COD ID: 1544285
CIF file Formula: - C14 H10 N4 -
Comments: Jash, Biswarup; Scharf, Philipp; Sandmann, Nikolas; Fonseca Guerra, Célia; Megger, Dominik A.; Müller, Jens A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases. Chemical science 8(2) (2017) 1337-1343
Space group: P 1 21/n 1
Cell volume: 1061.8
Cell parameters: 9.3816; 6.7781; 16.9307; 90; 99.5145; 90;  

COD ID: 1544287
CIF file Formula: - C50 H86 P3 Rh -
Comments: Suga, Takuya; Saitou, Takanobu; Takaya, Jun; Iwasawa, Nobuharu Mechanistic study of the rhodium-catalyzed carboxylation of simple aromatic compounds with carbon dioxide Chem. Sci. 8(2) (2017) 1454
Space group: P 1 21/c 1
Cell volume: 4674
Cell parameters: 10.4706; 22.65; 19.939; 90; 98.7248; 90;  

COD ID: 1544314
CIF file Formula: - C26 H23 O P S2 -
Comments: Wu, Nathan Man-Wai; Wong, Hok-Lai; Yam, Vivian Wing-Wah Photochromic benzo[b]phosphole oxide with excellent thermal irreversibility and fatigue resistance in the thin film solid state via direct attachment of dithienyl units to the weakly aromatic heterocycle Chem. Sci. 8(2) (2017) 1309
Space group: P -1
Cell volume: 1174.89
Cell parameters: 8.4616; 11.5086; 12.4957; 83.427; 77.321; 83.71;  

COD ID: 1544315
CIF file Formula: - C20 H19 Fe N O -
Comments: Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand. Chemical science 8(2) (2017) 1344-1349
Space group: P 21 21 21
Cell volume: 1592.5
Cell parameters: 5.7992; 11.4342; 24.017; 90; 90; 90;  

COD ID: 1544316
CIF file Formula: - C22 H21 Fe N O3 -
Comments: Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand. Chemical science 8(2) (2017) 1344-1349
Space group: P 32
Cell volume: 2768.7
Cell parameters: 9.7138; 9.7138; 33.882; 90; 90; 120;  

COD ID: 1544356
CIF file Formula: - C33 H46 Br N O5 Si -
Comments: Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel Stereodivergent, Diels‒Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application Chem. Sci. 8(2) (2017) 1511
Space group: P 21 21 21
Cell volume: 3406
Cell parameters: 9.091; 18.1061; 20.6924; 90; 90; 90;  

COD ID: 1544357
CIF file Formula: - C18 H21 Br N2 O3 -
Comments: Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain Highly enantioselective metallation‒substitution alpha to a chiral nitrile Chem. Sci. 8(2) (2017) 1436
Space group: P 1 21 1
Cell volume: 1802.77
Cell parameters: 8.8396; 17.5572; 11.6494; 90; 94.347; 90;  

COD ID: 1544369
CIF file Formula: - C60 H72 Br2 F48 I6 K2 N4 O12 -
Comments: Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems Chem. Sci. 8(3) (2017) 1801
Space group: P -3
Cell volume: 2416.5
Cell parameters: 11.727; 11.727; 20.29; 90; 90; 120;  

COD ID: 1544385
CIF file Formula: - C114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6 -
Comments: Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method Chem. Sci. 8(2) (2017) 1547
Space group: C 1 2 1
Cell volume: 15908.7
Cell parameters: 35.1845; 14.8561; 31.0855; 90; 101.739; 90;  

COD ID: 1544386
CIF file Formula: - C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6 -
Comments: Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method Chem. Sci. 8(2) (2017) 1547
Space group: C 1 2 1
Cell volume: 15928.1
Cell parameters: 35.2593; 14.8434; 31.0697; 90; 101.611; 90;  

COD ID: 1544404
CIF file Formula: - C37 H36 Cl F5 N4 O2 U -
Comments: Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science 8(1) (2017) 108-116
Space group: C 1 c 1
Cell volume: 3495.14
Cell parameters: 24.5647; 8.4279; 16.8859; 90; 91.172; 90;  

COD ID: 1544405
CIF file Formula: - C51 H50 Cl3 F5 N4 O2 Ti2 U -
Comments: Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science 8(1) (2017) 108-116
Space group: P 1 21/c 1
Cell volume: 5086
Cell parameters: 14.486; 30.377; 12.092; 90; 107.081; 90;  

COD ID: 1544406
CIF file Formula: - C37 H38 Cl Co F5 N4 O2.5 U -
Comments: Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science 8(1) (2017) 108-116
Space group: P 1 21/c 1
Cell volume: 8440.7
Cell parameters: 16.0945; 28.2241; 19.2594; 90; 105.247; 90;  

COD ID: 1544443
CIF file Formula: - C24 H16 O2 S2 -
Comments: Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism Chem. Sci. 8(3) (2017) 1909
Space group: P 1 21/n 1
Cell volume: 1935.51
Cell parameters: 9.6533; 13.2733; 15.1062; 90; 90.485; 90;  

COD ID: 1544444
CIF file Formula: - C37 H24 Cl2 O2 S3 -
Comments: Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism Chem. Sci. 8(3) (2017) 1909
Space group: C 1 2/c 1
Cell volume: 3015.22
Cell parameters: 9.3865; 12.1945; 26.4154; 90; 94.268; 90;  

COD ID: 1544458
CIF file Formula: - C11 H11 Cl N2 O5 -
Comments: Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides. Chemical science 8(2) (2017) 1570-1575
Space group: P 1 21/c 1
Cell volume: 1193.46
Cell parameters: 6.98145; 21.3099; 8.10016; 90; 97.9679; 90;  

COD ID: 1544462
CIF file Formula: - C27 H32 N2 O7 -
Comments: Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science 8(2) (2017) 1560-1569
Space group: P -1
Cell volume: 1207
Cell parameters: 9.067; 9.572; 14.08; 89.833; 82.205; 85.541;  

COD ID: 1544463
CIF file Formula: - C25 H32 Cl2 N2 O6 -
Comments: Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science 8(2) (2017) 1560-1569
Space group: P 21 21 21
Cell volume: 2519.5
Cell parameters: 7.8529; 15.3187; 20.944; 90; 90; 90;  

COD ID: 1544464
CIF file Formula: - C31 H38 N2 O5 -
Comments: Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science 8(2) (2017) 1560-1569
Space group: I 4
Cell volume: 5715.3
Cell parameters: 27.2685; 27.2685; 7.6863; 90; 90; 90;  

COD ID: 1544465
CIF file Formula: - C25 H30 N2 O7 -
Comments: Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science 8(2) (2017) 1560-1569
Space group: P 21 21 21
Cell volume: 2317.5
Cell parameters: 8.9658; 14.5779; 17.7311; 90; 90; 90;  

COD ID: 1544481
CIF file Formula: - C20 H15 Br Cl2 O S -
Comments: Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science 8(2) (2017) 1601-1606
Space group: P 1 21/c 1
Cell volume: 1844.2
Cell parameters: 5.0603; 21.361; 17.169; 90; 96.419; 90;  

COD ID: 1544482
CIF file Formula: - C24 H16 Cl N O3 S -
Comments: Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science 8(2) (2017) 1601-1606
Space group: P 1 21/c 1
Cell volume: 4048.1
Cell parameters: 18.742; 15.6215; 13.97; 90; 98.216; 90;  

COD ID: 1544483
CIF file Formula: - C11 H8.5 F1.5 O2 S -
Comments: Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science 8(2) (2017) 1601-1606
Space group: P 1 21/c 1
Cell volume: 2138
Cell parameters: 6.0792; 14.673; 23.976; 90; 91.386; 90;  

COD ID: 1544510
CIF file Formula: - C16 H20 Cl2 Ir N2 O2 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: P -1
Cell volume: 432.1
Cell parameters: 7.8768; 8.0811; 8.6738; 68.1; 66.086; 61.433;  

COD ID: 1544511
CIF file Formula: - C16 H20 Cl2 Ir N2 O2 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: I 41/a
Cell volume: 7256.6
Cell parameters: 16.9129; 16.9129; 25.3688; 90; 90; 90;  

COD ID: 1544512
CIF file Formula: - C16 H23 Cl2 Ir N2 O3 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: P -1
Cell volume: 929.79
Cell parameters: 8.8884; 9.6675; 12.5862; 95.132; 109.482; 110.349;  

COD ID: 1544513
CIF file Formula: - C18 H24 Cl2 Ir N2 O3 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: P 1 21/n 1
Cell volume: 2079.66
Cell parameters: 7.9001; 18.4626; 14.3136; 90; 95.04; 90;  

COD ID: 1544514
CIF file Formula: - C17 H22 Cl4 Ir N2 O2 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: P 1 21/n 1
Cell volume: 2114.56
Cell parameters: 8.7599; 15.6388; 15.6017; 90; 98.373; 90;  

COD ID: 1544515
CIF file Formula: - C33 H48 Cl6 Ir2 N4 O6 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: P 1 21/c 1
Cell volume: 2121
Cell parameters: 9.044; 13.823; 17.039; 90; 95.227; 90;  

COD ID: 1544516
CIF file Formula: - C8 H15 Cl4 Ir N Na O3.5 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: P -1
Cell volume: 1550.31
Cell parameters: 8.4303; 13.4446; 14.3559; 74.431; 85.859; 81.771;  

COD ID: 1544517
CIF file Formula: - C33 H42 Cl6 Ir2 N4 O4 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: P b c a
Cell volume: 3927
Cell parameters: 14.9782; 15.0278; 17.4463; 90; 90; 90;  

COD ID: 1544536
CIF file Formula: - C24 H18 Br N O3 -
Comments: Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate. Chemical science 8(3) (2017) 1936-1941
Space group: P 21 21 21
Cell volume: 1995.9
Cell parameters: 8.8078; 9.5713; 23.675; 90; 90; 90;  

COD ID: 1544554
CIF file Formula: - C25 H32 Si2 -
Comments: Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science 8(1) (2017) 101-107
Space group: P b c a
Cell volume: 4555
Cell parameters: 6.657; 34.537; 19.811; 90; 90; 90;  

COD ID: 1544555
CIF file Formula: - C29 H34 Si2 -
Comments: Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science 8(1) (2017) 101-107
Space group: P 1 21/c 1
Cell volume: 2532
Cell parameters: 15.291; 11.701; 14.17; 90; 93.057; 90;  

COD ID: 1544556
CIF file Formula: - C27 H36 N2 O2 Si2 -
Comments: Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science 8(1) (2017) 101-107
Space group: P -1
Cell volume: 1291.6
Cell parameters: 7.221; 11.79; 16.389; 110.915; 93.663; 94.99;  

COD ID: 1544557
CIF file Formula: - C23 H11 F8 N3 O -
Comments: 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 8(3) (2017) 2086-2090
Space group: P 1 21/c 1
Cell volume: 1912.3
Cell parameters: 6.5595; 41.849; 6.9922; 90; 94.939; 90;  

COD ID: 1544558
CIF file Formula: - C32 H22 F4 I2 N6 O2 -
Comments: 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 8(3) (2017) 2086-2090
Space group: P 1 21/c 1
Cell volume: 1507
Cell parameters: 15.842; 5.698; 16.7517; 90; 94.72; 90;  

COD ID: 1544602
CIF file Formula: - C56 H72 F12 N4 O2 Si2 Zn2 -
Comments: 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. 8(3) (2017) 1876
Space group: P 1 21/c 1
Cell volume: 3454.8
Cell parameters: 11.3281; 24.0698; 13.5639; 90; 110.91; 90;  

COD ID: 1544603
CIF file Formula: - C31 H45 F6 N3 Si2 Zn -
Comments: 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. 8(3) (2017) 1876
Space group: P -1
Cell volume: 1742.8
Cell parameters: 10.5225; 11.8495; 16.4988; 91.643; 107.641; 115.266;  

COD ID: 1544629
CIF file Formula: - C56 H68 B4 Cl8 Fe2 N14 O12 -
Comments: 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. 8(3) (2017) 1901
Space group: P 1 21/c 1
Cell volume: 6809.2
Cell parameters: 19.4453; 15.7177; 23.5873; 90; 109.174; 90;  

COD ID: 1544630
CIF file Formula: - C43 H54 B4 Cl6 Fe2 N14 O12 -
Comments: 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. 8(3) (2017) 1901
Space group: P -1
Cell volume: 2860.9
Cell parameters: 8.4174; 19.6607; 20.1792; 60.961; 79.048; 87.787;  

COD ID: 1544631
CIF file Formula: - C226 H267 B20 F16 Fe8 N65 O48 Pd2 -
Comments: 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. 8(3) (2017) 1901
Space group: P -1
Cell volume: 7828.1
Cell parameters: 20.2193; 20.6255; 21.5175; 63.61; 76.958; 85.618;  

COD ID: 1544632
CIF file Formula: - C160 H192 B20 F16 Fe8 N56 O48 Pd2 -
Comments: 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. 8(3) (2017) 1901
Space group: P 1 2/c 1
Cell volume: 31115.2
Cell parameters: 41.2884; 14.0841; 54.0058; 90; 97.789; 90;  

COD ID: 1544633
CIF file Formula: - C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -
Comments: 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. 8(3) (2017) 1901
Space group: P -1
Cell volume: 10396.1
Cell parameters: 21.3764; 21.4422; 23.5362; 105.44; 91.132; 90.267;  

COD ID: 1544634
CIF file Formula: - C244 H264 B20 F16 Fe8 N56 O56 Pd2 -
Comments: 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. 8(3) (2017) 1901
Space group: P -1
Cell volume: 9843.2
Cell parameters: 20.6996; 21.9894; 23.0916; 96.416; 91.4; 109.195;  

COD ID: 1544635
CIF file Formula: - C264 H306 B20 F16 Fe8 N62 O56 Pd2 -
Comments: 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. 8(3) (2017) 1901
Space group: P 4/m n c
Cell volume: 19297.4
Cell parameters: 17.5471; 17.5471; 62.6742; 90; 90; 90;  

COD ID: 1544644
CIF file Formula: - C70 H83 Sb4 Y3 -
Comments: Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science 8(3) (2017) 2073-2080
Space group: C 1 c 1
Cell volume: 6688
Cell parameters: 14.8643; 19.384; 24.2728; 90; 107.004; 90;  

COD ID: 1544645
CIF file Formula: - C70 H83 Dy3 Sb4 -
Comments: Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science 8(3) (2017) 2073-2080
Space group: C 1 c 1
Cell volume: 6696.5
Cell parameters: 14.8968; 19.3308; 24.2616; 90; 106.568; 90;  

COD ID: 1544646
CIF file Formula: - C70 H83 Dy3 Sb3 -
Comments: Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science 8(3) (2017) 2073-2080
Space group: C 1 c 1
Cell volume: 6641.75
Cell parameters: 15.113; 18.7437; 24.0965; 90; 103.339; 90;  

COD ID: 1544647
CIF file Formula: - C70 H83 Sb3 Y3 -
Comments: Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science 8(3) (2017) 2073-2080
Space group: C 1 c 1
Cell volume: 6653.68
Cell parameters: 15.1052; 18.7715; 24.1263; 90; 103.437; 90;  

COD ID: 1544648
CIF file Formula: - C18 H24 Sb2 -
Comments: Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science 8(3) (2017) 2073-2080
Space group: P -1
Cell volume: 439.35
Cell parameters: 5.174; 7.9835; 11.2694; 88.921; 79.679; 73.714;  

COD ID: 1544655
CIF file Formula: - C90 H121 F6 N7 O18 P -
Comments: 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 8(3) (2017) 2091-2100
Space group: P 1 21/c 1
Cell volume: 9522
Cell parameters: 22.63; 23.529; 19.425; 90; 112.979; 90;  

COD ID: 1544656
CIF file Formula: - C216 H292 F12 N20 O36 P2 -
Comments: 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 8(3) (2017) 2091-2100
Space group: P 1 21/n 1
Cell volume: 12719.6
Cell parameters: 22.928; 25.6042; 23.2131; 90; 111.03; 90;  

COD ID: 1544657
CIF file Formula: - C12 H30 I6 N2 Pb -
Comments: 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 8(3) (2017) 1960-1968
Space group: P b c a
Cell volume: 2707.7
Cell parameters: 9.0651; 8.8852; 33.617; 90; 90; 90;  

COD ID: 1544658
CIF file Formula: - C39 H36 Cl2 Ir O2 P -
Comments: 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 8(3) (2017) 1977-1980
Space group: C 1 2 1
Cell volume: 3283.3
Cell parameters: 19.385; 16.22; 10.9215; 90; 107.035; 90;  

COD ID: 1544660
CIF file Formula: - C45 H43 Cl11 N O P Pd -
Comments: 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 8(3) (2017) 1981-1985
Space group: P 21 21 21
Cell volume: 4985.3
Cell parameters: 13.7983; 18.7174; 19.3028; 90; 90; 90;  

COD ID: 1544661
CIF file Formula: - C17 H17 N -
Comments: 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 8(3) (2017) 1981-1985
Space group: P 21 21 21
Cell volume: 1303.5
Cell parameters: 6.077; 7.7665; 27.619; 90; 90; 90;  

COD ID: 1544701
CIF file Formula: - C81.75 H139 F6 N17 O9.75 P -
Comments: 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. 8(3) (2017) 2184
Space group: P 21 21 21
Cell volume: 8842.23
Cell parameters: 20.2513; 20.7166; 21.07611; 90; 90; 90;  

COD ID: 1544702
CIF file Formula: - C82 H140 F6 N16 O10 P Sb -
Comments: 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. 8(3) (2017) 2184
Space group: P 1 21 1
Cell volume: 8943.02
Cell parameters: 20.20836; 21.378; 20.70075; 90; 90.0578; 90;  

COD ID: 1544703
CIF file Formula: - C82 H140 B F4 N17 O10 -
Comments: 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. 8(3) (2017) 2184
Space group: P 21 21 21
Cell volume: 8790.82
Cell parameters: 20.03081; 20.92663; 20.97159; 90; 90; 90;  

COD ID: 1544704
CIF file Formula: - C81.75 H139 N17 O13.75 Re -
Comments: 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. 8(3) (2017) 2184
Space group: P 21 21 21
Cell volume: 8861.1
Cell parameters: 20.1641; 20.8019; 21.1254; 90; 90; 90;  

COD ID: 1544705
CIF file Formula: - C82 H140 I N16 O14 P -
Comments: 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. 8(3) (2017) 2184
Space group: P 1 21 1
Cell volume: 8912.4
Cell parameters: 20.1263; 21.3089; 20.7811; 90; 90.0371; 90;  

COD ID: 1544706
CIF file Formula: - C83 H140 F3 N17 O13 S -
Comments: 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. 8(3) (2017) 2184
Space group: P 21 21 21
Cell volume: 8837.66
Cell parameters: 20.27229; 20.7328; 21.02695; 90; 90; 90;  

COD ID: 1544742
CIF file Formula: - C26 H38 Au N2 P S -
Comments: 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 8(3) (2017) 2352-2364
Space group: P 1 21/c 1
Cell volume: 2510.37
Cell parameters: 12.4327; 15.7628; 12.9117; 90; 97.2061; 90;  

COD ID: 1544743
CIF file Formula: - C32 H25 Au N2 O2 -
Comments: 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 8(3) (2017) 2352-2364
Space group: P 1 21/c 1
Cell volume: 2558.3
Cell parameters: 11.4778; 20.461; 11.6734; 90; 111.062; 90;  

COD ID: 1544744
CIF file Formula: - C39 H51 Au B F2 N2 P -
Comments: 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 8(3) (2017) 2352-2364
Space group: P 1 21/n 1
Cell volume: 3665.6
Cell parameters: 10.9501; 25.1526; 13.6349; 90; 102.556; 90;  

COD ID: 1544751
CIF file Formula: - C35 H53 Fe N2 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P c a 21
Cell volume: 3490.36
Cell parameters: 17.8087; 11.3207; 17.3127; 90; 90; 90;  

COD ID: 1544752
CIF file Formula: - C43 H65 Fe N3 Na O2 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P 1 21/c 1
Cell volume: 4431
Cell parameters: 13.454; 10.208; 32.264; 90; 90.86; 90;  

COD ID: 1544753
CIF file Formula: - C69 H71 B F24 Fe N2 O0.5 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P -1
Cell volume: 3616.2
Cell parameters: 13.2134; 16.5453; 19.1158; 107.944; 103.367; 104.913;  

COD ID: 1544754
CIF file Formula: - C45 H69 Fe N5 Na O3 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P 1 21/c 1
Cell volume: 4819.1
Cell parameters: 16.278; 12.177; 24.314; 90; 90.733; 90;  

COD ID: 1544755
CIF file Formula: - C35 H53 Fe N3 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P -1
Cell volume: 3541.2
Cell parameters: 10.4778; 17.2329; 20.001; 92.885; 96.497; 98.431;  

COD ID: 1544756
CIF file Formula: - C73 H82 B F24 Fe N3 O1.5 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P -1
Cell volume: 3878.8
Cell parameters: 12.6269; 16.1557; 20.397; 86.951; 77.672; 72.605;  

COD ID: 1544757
CIF file Formula: - C45 H69 Fe N5 Na O3 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P n m a
Cell volume: 5002
Cell parameters: 24.918; 16.256; 12.349; 90; 90; 90;  

COD ID: 1544758
CIF file Formula: - C39 H51 Cl Fe N3 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P n a 21
Cell volume: 7806.9
Cell parameters: 38.962; 11.0406; 18.1487; 90; 90; 90;  

COD ID: 1544759
CIF file Formula: - C33 H45 Cl0 Fe N5 P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P 1 21 1
Cell volume: 3322.3
Cell parameters: 10.6457; 19.2443; 16.2208; 90; 91.27; 90;  

COD ID: 1544760
CIF file Formula: - C69 H70 B F24 Fe N4 O P3 Si -
Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328
Space group: P -1
Cell volume: 7385
Cell parameters: 17.5105; 20.6792; 22.9097; 102.798; 94.824; 111.77;  

COD ID: 1544780
CIF file Formula: - C16 H32.72 N4 O12.36 Zr -
Comments: 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 8(3) (2017) 2309-2314
Space group: P 4 c c
Cell volume: 2234.3
Cell parameters: 13.0201; 13.0201; 13.1802; 90; 90; 90;  

COD ID: 1544786
CIF file Formula: - C8 H16 Cl2 N4 O5 Pt -
Comments: 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. 8(3) (2017) 2241
Space group: P 1 21/c 1
Cell volume: 2835.2
Cell parameters: 12.2584; 10.9135; 21.9058; 90; 104.66; 90;  

COD ID: 1544787
CIF file Formula: - C9 H20 Cl2 N4 O7 Pt -
Comments: 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. 8(3) (2017) 2241
Space group: C 1 2/c 1
Cell volume: 3365.1
Cell parameters: 27.345; 10.1753; 12.3345; 90; 101.328; 90;  

COD ID: 1544788
CIF file Formula: - C697 H897 Ag115 P12 S81 -
Comments: 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. 8(3) (2017) 2235
Space group: P -1
Cell volume: 47638.4
Cell parameters: 29.4745; 35.8121; 48.4263; 86.379; 75.637; 74.164;  

COD ID: 1544802
CIF file Formula: - C35 H32 B2 Cl F18 N3 -
Comments: 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 8(3) (2017) 2337-2343
Space group: P 1 21/n 1
Cell volume: 3974.2
Cell parameters: 11.379; 22.2822; 16.4411; 90; 107.567; 90;  

COD ID: 1544803
CIF file Formula: - C46 H51 B2 F18 N5 -
Comments: 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 8(3) (2017) 2337-2343
Space group: C 1 2/c 1
Cell volume: 9938.7
Cell parameters: 12.936; 18.7832; 41.0326; 90; 94.5442; 90;  

COD ID: 1544804
CIF file Formula: - C31 H39.5 B F3.5 N5 O3 S -
Comments: 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 8(3) (2017) 2337-2343
Space group: P -1
Cell volume: 1701.94
Cell parameters: 9.3972; 12.2337; 16.8072; 73.1735; 77.1382; 68.1258;  

COD ID: 1544805
CIF file Formula: - C12 H21 B F3 N5 O3 S -
Comments: 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 8(3) (2017) 2337-2343
Space group: C m c 21
Cell volume: 1863.32
Cell parameters: 13.5787; 12.2769; 11.1774; 90; 90; 90;  

COD ID: 1544806
CIF file Formula: - C54 H53 B2 F24 N7 -
Comments: 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 8(3) (2017) 2337-2343
Space group: P 21 21 21
Cell volume: 6015.3
Cell parameters: 12.6084; 19.7795; 24.1204; 90; 90; 90;  

COD ID: 1544807
CIF file Formula: - C35.38 H33.75 B2 Cl0.75 F18 N3 -
Comments: 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 8(3) (2017) 2337-2343
Space group: I 1 2/a 1
Cell volume: 8031.8
Cell parameters: 25.1883; 12.192; 26.4276; 90; 98.253; 90;  

COD ID: 1544808
CIF file Formula: - C38.5 H35 B2 F18 N3 -
Comments: 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 8(3) (2017) 2337-2343
Space group: P 1 21/n 1
Cell volume: 4046.12
Cell parameters: 12.2423; 22.642; 14.6138; 90; 92.7542; 90;  

COD ID: 1544809
CIF file Formula: - C14 H24 F6 Fe N24 O6 S2 -
Comments: Urtizberea, A.; Roubeau, O. Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound. Chemical science 8(3) (2017) 2290-2295
Space group: P -1
Cell volume: 873.9
Cell parameters: 7.543; 11.336; 11.424; 63.483; 89.755; 88.763;  

COD ID: 1544810
CIF file Formula: - C14 H24 F6 Fe N24 O6 S2 -
Comments: Urtizberea, A.; Roubeau, O. Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound. Chemical science 8(3) (2017) 2290-2295
Space group: R -3 :H
Cell volume: 15172
Cell parameters: 19.724; 19.724; 45.031; 90; 90; 120;  

COD ID: 1544822
CIF file Formula: - C14 H10 N2 O2 -
Comments: Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science 8(3) (2017) 2431-2435
Space group: P b c a
Cell volume: 2154
Cell parameters: 8.2; 12.4012; 21.182; 90; 90; 90;  

COD ID: 1544823
CIF file Formula: - C15 H14 N2 O2 -
Comments: Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science 8(3) (2017) 2431-2435
Space group: P 1 21/n 1
Cell volume: 1301
Cell parameters: 8.73; 13.396; 11.372; 90; 101.968; 90;  

COD ID: 1544824
CIF file Formula: - C66 H52 Cl12 N2 O4 -
Comments: Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh Enhanced intersystem crossing in core-twisted aromatics Chem. Sci. 8(3) (2017) 1776
Space group: P 43
Cell volume: 6706.24
Cell parameters: 13.9364; 13.9364; 34.5285; 90; 90; 90;  

COD ID: 1544825
CIF file Formula: - C104 H86 N2 O4 -
Comments: Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh Enhanced intersystem crossing in core-twisted aromatics Chem. Sci. 8(3) (2017) 1776
Space group: P -1
Cell volume: 1968.03
Cell parameters: 11.4627; 11.8704; 15.645; 76.067; 89.834; 72.77;  

COD ID: 1544826
CIF file Formula: - C17 H17 N O -
Comments: Kim, Jungwon; Hong, Soon Hyeok Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones. Chemical science 8(3) (2017) 2401-2406
Space group: P 1 21/n 1
Cell volume: 1374.71
Cell parameters: 6.3989; 11.27072; 19.0731; 90; 92.0107; 90;  

COD ID: 1544843
CIF file Formula: - C35 H28 N4 O -
Comments: 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. 8(3) (2017) 1763
Space group: P 1 21/n 1
Cell volume: 2777.9
Cell parameters: 9.359; 10.6693; 27.872; 90; 93.525; 90;  

COD ID: 1544851
CIF file Formula: - C24 H28 N2 O10 -
Comments: 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. 8(4) (2017) 2758
Space group: P 1 21/c 1
Cell volume: 1168.57
Cell parameters: 6.241; 27.3263; 6.9456; 90; 99.4148; 90;  

COD ID: 1544969
CIF file Formula: - C42 H50 F12 N10 O7 P2 Ru -
Comments: Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J. Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity. Chemical science 8(1) (2017) 395-404
Space group: C 1 2/c 1
Cell volume: 5012.2
Cell parameters: 21.9093; 15.8193; 19.1282; 90; 130.884; 90;  

COD ID: 1544982
CIF file Formula: - C40 H89 Ga O13 Si3 -
Comments: Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts Chem. Sci. 8(4) (2017) 2661
Space group: P -1
Cell volume: 10635.5
Cell parameters: 18.0886; 25.2724; 26.1157; 62.983; 89.953; 89.655;  

COD ID: 1544983
CIF file Formula: - C34 H30 Cu4 I4 N6 S4 -
Comments: Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci. 8(4) (2017) 2592
Space group: P 1 21/n 1
Cell volume: 2074.32
Cell parameters: 14.003; 8.7535; 16.9635; 90; 93.969; 90;  

COD ID: 1544984
CIF file Formula: - C34 H30 Cu4 I4 N6 S4 -
Comments: Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci. 8(4) (2017) 2592
Space group: P -1
Cell volume: 1014.82
Cell parameters: 8.811; 10.0997; 12.544; 101.523; 102.995; 104.283;  

COD ID: 1544985
CIF file Formula: - C35 H32 Cl2 Cu4 I4 N6 S4 -
Comments: Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci. 8(4) (2017) 2592
Space group: C 1 2/c 1
Cell volume: 4366.1
Cell parameters: 28.265; 16.1159; 10.1658; 90; 109.463; 90;  

COD ID: 1544986
CIF file Formula: - C36 H34 Cl4 Cu4 I4 N6 S4 -
Comments: Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci. 8(4) (2017) 2592
Space group: C 1 2/c 1
Cell volume: 4694.72
Cell parameters: 25.9718; 10.2757; 17.5936; 90; 90.94; 90;  

COD ID: 1544987
CIF file Formula: - C17 H15 Cu N5 O6 S2 -
Comments: Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci. 8(4) (2017) 2592
Space group: C 1 2/c 1
Cell volume: 4451.18
Cell parameters: 17.889; 12.2339; 20.7705; 90; 101.703; 90;  

COD ID: 1544988
CIF file Formula: - C34 H30 Cu2 I2 N6 S4 -
Comments: Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci. 8(4) (2017) 2592
Space group: P 1 21/n 1
Cell volume: 1784.8
Cell parameters: 10.1355; 8.3969; 21.0712; 90; 95.58; 90;  

COD ID: 1544989
CIF file Formula: - C17 H15 N3 S2 -
Comments: Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci. 8(4) (2017) 2592
Space group: P 1 21/n 1
Cell volume: 1522.57
Cell parameters: 10.5537; 9.2526; 16.335; 90; 107.345; 90;  

COD ID: 1544991
CIF file Formula: - C18 H17 F3 O2 S2 -
Comments: Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes Chem. Sci. 8(4) (2017) 2610
Space group: P c a 21
Cell volume: 3548
Cell parameters: 11.2567; 11.6409; 27.0758; 90; 90; 90;  

COD ID: 1544992
CIF file Formula: - C12 H13 F3 O2 S2 -
Comments: Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes Chem. Sci. 8(4) (2017) 2610
Space group: P -1
Cell volume: 707.68
Cell parameters: 5.6786; 8.4547; 15.2755; 95.353; 96.231; 102.129;  

COD ID: 1545006
CIF file Formula: - C252 H330 Ag28 P4 Pt S18 -
Comments: Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster Chem. Sci. 8(4) (2017) 2581
Space group: C 1 2/c 1
Cell volume: 68775
Cell parameters: 50.8135; 29.3497; 49.1614; 90; 110.274; 90;  

COD ID: 1545025
CIF file Formula: - C45 H26 Cl N4 S2 -
Comments: Okazaki, Masato; Takeda, Youhei; Data, Przemyslaw; Pander, Piotr; Higginbotham, Heather; Monkman, Andrew P.; Minakata, Satoshi Thermally activated delayed fluorescent phenothiazine‒dibenzo[a,j]phenazine‒phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence Chem. Sci. 8(4) (2017) 2677
Space group: C 1 2/c 1
Cell volume: 6730.2
Cell parameters: 30.0933; 8.439; 26.6268; 90; 95.566; 90;  

COD ID: 1545026
CIF file Formula: - C10 H8 S2 -
Comments: Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci. 8(4) (2017) 2629
Space group: P 1 21/c 1
Cell volume: 449.95
Cell parameters: 5.81321; 7.5432; 10.2777; 90; 93.249; 90;  

COD ID: 1545027
CIF file Formula: - C18 H10 S4 -
Comments: Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci. 8(4) (2017) 2629
Space group: P 1 21/n 1
Cell volume: 1517.55
Cell parameters: 10.91901; 8.76755; 15.8755; 90; 93.1272; 90;  

COD ID: 1545028
CIF file Formula: - C18 H12 S4 -
Comments: Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci. 8(4) (2017) 2629
Space group: P 1 21/n 1
Cell volume: 763.55
Cell parameters: 9.316; 9.10329; 9.6346; 90; 110.853; 90;  

COD ID: 1545045
CIF file Formula: - C55 H23 Co F28 N4 O9 P3 Yb -
Comments: Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields Chem. Sci. 8(4) (2017) 2702
Space group: C 1 2/c 1
Cell volume: 6129
Cell parameters: 24.588; 10.147; 24.582; 90; 92.11; 90;  

COD ID: 1545046
CIF file Formula: - C57 H34 Cl5 Co F20 N4 O11 P3 Yb -
Comments: Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields Chem. Sci. 8(4) (2017) 2702
Space group: C m c m
Cell volume: 7002.6
Cell parameters: 15.8901; 19.2041; 22.9477; 90; 90; 90;  

COD ID: 1545047
CIF file Formula: - C55 H25 Co D18 F8 N4 O9 P3 Yb -
Comments: Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields Chem. Sci. 8(4) (2017) 2702
Space group: P -1
Cell volume: 2614.22
Cell parameters: 12.2948; 14.0793; 16.6204; 72.8693; 73.873; 77.72;  

COD ID: 1545050
CIF file Formula: - C49 H42 F24 N8 O4 P4 -
Comments: Wang, Yuping; Sun, Junling; Liu, Zhichang; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser Radically promoted formation of a molecular lasso Chem. Sci. 8(4) (2017) 2562
Space group: P 1 21/n 1
Cell volume: 5732.5
Cell parameters: 10.6431; 41.576; 13.8546; 90; 110.763; 90;  

COD ID: 1545090
CIF file Formula: - C22 H29 F N3 O9 P -
Comments: McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana The protecting-group free selective 3′-functionalization of nucleosides Chem. Sci. 8(4) (2017) 2804
Space group: P 21 21 21
Cell volume: 2602.1
Cell parameters: 11.355; 13.612; 16.835; 90; 90; 90;  

COD ID: 1545091
CIF file Formula: - C18 H17 F5 N O5 P -
Comments: McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana The protecting-group free selective 3′-functionalization of nucleosides Chem. Sci. 8(4) (2017) 2804
Space group: P 1
Cell volume: 980.85
Cell parameters: 5.2533; 12.0015; 16.3874; 74.879; 84.088; 80.148;  

COD ID: 1545092
CIF file Formula: - C16 H15 Br O2 -
Comments: Kossler, D.; Cramer, N. Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions Chem. Sci. 8(3) (2017) 1862
Space group: C 1 2 1
Cell volume: 2782.94
Cell parameters: 19.2401; 7.48163; 19.9656; 90; 104.461; 90;  

COD ID: 1545093
CIF file Formula: - C54 H51 Cl O2 Ru -
Comments: Kossler, D.; Cramer, N. Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions Chem. Sci. 8(3) (2017) 1862
Space group: P 1
Cell volume: 2074.99
Cell parameters: 10.9092; 12.5543; 15.2599; 86.71; 83.989; 89.249;  

COD ID: 1545094
CIF file Formula: - C46 H50 Br Cl2 N3 O2 P2 Pd -
Comments: Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T. A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions Chem. Sci. 8(4) (2017) 2841
Space group: P 21 21 21
Cell volume: 4420.99
Cell parameters: 12.7416; 15.3629; 22.5851; 90; 90; 90;  

COD ID: 1545095
CIF file Formula: - C18 H28 Br2 N2 P2 Pd -
Comments: Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T. A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions Chem. Sci. 8(4) (2017) 2841
Space group: P 21 21 21
Cell volume: 2181.63
Cell parameters: 7.6802; 15.4523; 18.383; 90; 90; 90;  

COD ID: 1545096
CIF file Formula: - C25 H32 Br N3 O P2 Pd -
Comments: Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T. A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions Chem. Sci. 8(4) (2017) 2841
Space group: C 1 2 1
Cell volume: 2653.7
Cell parameters: 23.434; 10.7208; 10.6091; 90; 95.3448; 90;  

COD ID: 1545097
CIF file Formula: - C26 H24 N2 O6 S2 -
Comments: Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters Chem. Sci. 8(4) (2017) 2811
Space group: P 21 21 21
Cell volume: 5073.1
Cell parameters: 8.7715; 15.9157; 36.3389; 90; 90; 90;  

COD ID: 1545143
CIF file Formula: - C31 H28 O2 -
Comments: Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage. Chemical science 8(4) (2017) 3002-3006
Space group: P 21 21 21
Cell volume: 2347.15
Cell parameters: 5.8387; 15.6232; 25.7309; 90; 90; 90;  

COD ID: 1545144
CIF file Formula: - C26 H26 O3 -
Comments: Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage. Chemical science 8(4) (2017) 3002-3006
Space group: P 1 21 1
Cell volume: 1046.75
Cell parameters: 12.8937; 6.0514; 14.068; 90; 107.517; 90;  

COD ID: 1545162
CIF file Formula: - C53 H90 N10 O11 -
Comments: Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal. Chemical science 8(4) (2017) 3007-3018
Space group: P 1
Cell volume: 1452.19
Cell parameters: 9.302; 9.7698; 16.9249; 84.505; 86.765; 71.597;  

COD ID: 1545163
CIF file Formula: - C55 H93 N11 O11 -
Comments: Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal. Chemical science 8(4) (2017) 3007-3018
Space group: P 1 21 1
Cell volume: 6639.6
Cell parameters: 13.6336; 14.6369; 33.2755; 90; 89.215; 90;  

COD ID: 1545166
CIF file Formula: - C41 H57 F7 N3 O12 P -
Comments: Saito, Fumito; Bode, Jeffrey W. Synthesis and stabilities of peptide-based [1]rotaxanes: molecular grafting onto lasso peptide scaffolds Chem. Sci. 8(4) (2017) 2878
Space group: P 1 21 1
Cell volume: 2276
Cell parameters: 9.9986; 18.897; 12.05; 90; 91.502; 90;  

COD ID: 1545174
CIF file Formula: - C15 H12 B Cl O3 -
Comments: Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids. Chemical science 8(4) (2017) 3026-3030
Space group: P 21 21 21
Cell volume: 1349.82
Cell parameters: 13.0121; 5.2339; 19.82; 90; 90; 90;  

COD ID: 1545175
CIF file Formula: - C14 H14 O4 -
Comments: Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L. Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights. Chemical science 8(4) (2017) 2904-2913
Space group: P 1 21 1
Cell volume: 584.984
Cell parameters: 9.16074; 6.01447; 10.6243; 90; 92.073; 90;  

COD ID: 1545176
CIF file Formula: - C13 H20 O4 -
Comments: Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L. Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights. Chemical science 8(4) (2017) 2904-2913
Space group: P 21 21 21
Cell volume: 1230.55
Cell parameters: 5.5604; 6.6895; 33.0826; 90; 90; 90;  

COD ID: 1545177
CIF file Formula: - C18 H22 O6 -
Comments: Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L. Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights. Chemical science 8(4) (2017) 2904-2913
Space group: P 21 21 21
Cell volume: 1590.95
Cell parameters: 8.9615; 10.02283; 17.71277; 90; 90; 90;  

COD ID: 1545178
CIF file Formula: - C10 H11 N3 O6 S -
Comments: Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science 8(4) (2017) 2983-2993
Space group: P 1 21 1
Cell volume: 1194.68
Cell parameters: 6.8159; 9.972; 17.7839; 90; 98.748; 90;  

COD ID: 1545179
CIF file Formula: - C8 H8 Br N5 O S -
Comments: Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science 8(4) (2017) 2983-2993
Space group: P 1 21/n 1
Cell volume: 1070.18
Cell parameters: 15.3538; 4.3958; 17.1443; 90; 112.351; 90;  

COD ID: 1545180
CIF file Formula: - C10 H15.5 N4 O6.75 S -
Comments: Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science 8(4) (2017) 2983-2993
Space group: P 1
Cell volume: 1337.78
Cell parameters: 8.0883; 10.9716; 16.0771; 72.07; 80.273; 86.279;  

COD ID: 1545181
CIF file Formula: - C2.5 H2.5 Np0.12 -
Comments: Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci. 8(4) (2017) 2553
Space group: I -4 2 m
Cell volume: 780.22
Cell parameters: 8.598; 8.598; 10.5541; 90; 90; 90;  

COD ID: 1545182
CIF file Formula: - C32 H35 K1.5 Np1.5 O0.5 -
Comments: Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci. 8(4) (2017) 2553
Space group: C 1 2 1
Cell volume: 2998.8
Cell parameters: 22.6093; 14.7125; 9.0155; 90; 90.415; 90;  

COD ID: 1545183
CIF file Formula: - C15 H15 Np -
Comments: Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci. 8(4) (2017) 2553
Space group: C m c 21
Cell volume: 1178.85
Cell parameters: 14.1208; 8.7037; 9.5917; 90; 90; 90;  

COD ID: 1545184
CIF file Formula: - C19 H21 N2 Np -
Comments: Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci. 8(4) (2017) 2553
Space group: P b c n
Cell volume: 1683.5
Cell parameters: 13.6966; 8.3864; 14.6562; 90; 90; 90;  

COD ID: 1545185
CIF file Formula: - C24 H39 Np Si3 -
Comments: Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci. 8(4) (2017) 2553
Space group: P b c a
Cell volume: 5318.9
Cell parameters: 8.298; 22.1664; 28.917; 90; 90; 90;  

COD ID: 1545242
CIF file Formula: - C22 H17 Br F N O2 -
Comments: Thornbury, Richard T.; Saini, Vaneet; Fernandes, Talita de A; Santiago, Celine B.; Talbot, Eric P. A.; Sigman, Matthew S.; McKenna, Jeffrey M.; Toste, F. Dean The development and mechanistic investigation of a palladium-catalyzed 1,3-arylfluorination of chromenes. Chemical science 8(4) (2017) 2890-2897
Space group: P 1 21/c 1
Cell volume: 1861.37
Cell parameters: 15.3026; 12.0184; 10.1214; 90; 90.552; 90;  

COD ID: 1545255
CIF file Formula: - C30 H30 B2 F8 Fe N24 -
Comments: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci. 8(4) (2017) 3109
Space group: P 63/m
Cell volume: 2219.2
Cell parameters: 10.4852; 10.4852; 23.308; 90; 90; 120;  

COD ID: 1545256
CIF file Formula: - C30 H30 B2 F8 Fe N24 -
Comments: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci. 8(4) (2017) 3109
Space group: P 63/m
Cell volume: 2138.1
Cell parameters: 10.369; 10.369; 22.9628; 90; 90; 120;  

COD ID: 1545257
CIF file Formula: - C31.12 H30 Cl2 Fe N24 O10.24 -
Comments: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci. 8(4) (2017) 3109
Space group: P 63/m
Cell volume: 2285.33
Cell parameters: 10.55931; 10.55931; 23.6672; 90; 90; 120;  

COD ID: 1545258
CIF file Formula: - C31.63 H33.26 Cl2 Fe N24 O8 -
Comments: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci. 8(4) (2017) 3109
Space group: P 63/m
Cell volume: 2261.25
Cell parameters: 10.52034; 10.52034; 23.5917; 90; 90; 120;  

COD ID: 1545259
CIF file Formula: - C30.78 H33.12 Cl2 Fe N24 O8 -
Comments: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci. 8(4) (2017) 3109
Space group: P 63/m
Cell volume: 2277.29
Cell parameters: 10.5426; 10.5426; 23.6588; 90; 90; 120;  

COD ID: 1545260
CIF file Formula: - C31.044 H30 B2 F8 Fe N24 O2.088 -
Comments: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci. 8(4) (2017) 3109
Space group: P 63/m
Cell volume: 2272.52
Cell parameters: 10.57127; 10.57127; 23.4813; 90; 90; 120;  

COD ID: 1545261
CIF file Formula: - C31.8 H33.6 B2 F8 Fe N24 -
Comments: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci. 8(4) (2017) 3109
Space group: P 63/m
Cell volume: 2274.99
Cell parameters: 10.57281; 10.57281; 23.49996; 90; 90; 120;  

COD ID: 1545262
CIF file Formula: - C30.84 H33.36 B2 F8 Fe N24 -
Comments: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez Gas confinement in compartmentalized coordination polymers for highly selective sorption Chem. Sci. 8(4) (2017) 3109
Space group: P 63/m
Cell volume: 2272.86
Cell parameters: 10.5681; 10.5681; 23.4989; 90; 90; 120;  

COD ID: 1545263
CIF file Formula: - C24 H26 Cl2 Co N4 O9 -
Comments: Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J. Reversible solvatomagnetic switching in a single-ion magnet from an entatic state Chem. Sci. 8(5) (2017) 3694
Space group: P 1 21/c 1
Cell volume: 2834.2
Cell parameters: 18.258; 11.064; 14.334; 90; 101.816; 90;  

COD ID: 1545264
CIF file Formula: - C24 H24 Cl2 Co N4 O8 -
Comments: Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J. Reversible solvatomagnetic switching in a single-ion magnet from an entatic state Chem. Sci. 8(5) (2017) 3694
Space group: P 1 21/c 1
Cell volume: 2794.6
Cell parameters: 18.0546; 11.9616; 13.4228; 90; 105.413; 90;  

COD ID: 1545265
CIF file Formula: - C38 H55 Cl Pb Ru Si2 -
Comments: Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci. 8(4) (2017) 3092
Space group: P 1 21/n 1
Cell volume: 3880.1
Cell parameters: 9.728; 18.602; 21.538; 90; 95.419; 90;  

COD ID: 1545266
CIF file Formula: - C44 H69 I Pb Ru Si2 -
Comments: Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci. 8(4) (2017) 3092
Space group: P b c a
Cell volume: 9164.4
Cell parameters: 10.393; 22.3163; 39.5129; 90; 90; 90;  

COD ID: 1545267
CIF file Formula: - C40.55 H59.95 Cl0.15 Pb Ru Si2 -
Comments: Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci. 8(4) (2017) 3092
Space group: P 1 21/c 1
Cell volume: 4010.5
Cell parameters: 16.7796; 11.2019; 21.597; 90; 98.91; 90;  

COD ID: 1545268
CIF file Formula: - C54 H87 Li O4 Pb Ru Si2 -
Comments: Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci. 8(4) (2017) 3092
Space group: P -1
Cell volume: 2721.5
Cell parameters: 12.7785; 14.3628; 15.1226; 97.836; 96.992; 93.261;  

COD ID: 1545280
CIF file Formula: - C28 H40 F4 N P2 Rh -
Comments: Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V. Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh Chem. Sci. 8(4) (2017) 3178
Space group: C 1 2/c 1
Cell volume: 2769
Cell parameters: 22.851; 9.929; 16.292; 90; 131.487; 90;  

COD ID: 1545281
CIF file Formula: - C27 H40 F2 N P2 Rh -
Comments: Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V. Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh Chem. Sci. 8(4) (2017) 3178
Space group: P n a 21
Cell volume: 2734.2
Cell parameters: 16.693; 16.565; 9.888; 90; 90; 90;  

COD ID: 1545282
CIF file Formula: - C28 H41 B11 Cl11 F N P2 Rh -
Comments: Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V. Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh Chem. Sci. 8(4) (2017) 3178
Space group: P n a 21
Cell volume: 4684
Cell parameters: 20.427; 19.756; 11.606; 90; 90; 90;  

COD ID: 1545287
CIF file Formula: - C56 H94 Cl4 Cu4 N10 O24 -
Comments: Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science 8(4) (2017) 3031-3037
Space group: P -1
Cell volume: 1817.8
Cell parameters: 12.2247; 12.3904; 15.0274; 106.67; 96.765; 118.889;  

COD ID: 1545288
CIF file Formula: - C40 H71 Cl2 Cu2 N5 O17 -
Comments: Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science 8(4) (2017) 3031-3037
Space group: P 1 21/c 1
Cell volume: 2550.2
Cell parameters: 10.9869; 18.6852; 13.1285; 90; 108.876; 90;  

COD ID: 1545289
CIF file Formula: - C36 H64 Cl2 Cu2 N4 O17 -
Comments: Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science 8(4) (2017) 3031-3037
Space group: P 1 21/c 1
Cell volume: 4639.4
Cell parameters: 16.6993; 15.6606; 17.7512; 90; 92.035; 90;  

COD ID: 1545290
CIF file Formula: - C34 H58 Cu2 N4 O8 -
Comments: Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science 8(4) (2017) 3031-3037
Space group: P n n a
Cell volume: 3728.23
Cell parameters: 14.5909; 12.6902; 20.135; 90; 90; 90;  

COD ID: 1545291
CIF file Formula: - C28 H46 Cu2 F6 N4 O12 S2 -
Comments: Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science 8(4) (2017) 3031-3037
Space group: P 1 21/n 1
Cell volume: 1942.84
Cell parameters: 9.5488; 11.0676; 18.7942; 90; 101.996; 90;  

COD ID: 1545338
CIF file Formula: - C24 H44 Ce N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1906.84
Cell parameters: 8.6742; 8.6742; 25.3428; 90; 90; 90;  

COD ID: 1545339
CIF file Formula: - C24 H44 Ho N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1883.32
Cell parameters: 8.5991; 8.5991; 25.4694; 90; 90; 90;  

COD ID: 1545340
CIF file Formula: - C24 H44 La N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1915.24
Cell parameters: 8.6867; 8.6867; 25.3813; 90; 90; 90;  

COD ID: 1545341
CIF file Formula: - C24 H44 Lu N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1873.21
Cell parameters: 8.5697; 8.5697; 25.5067; 90; 90; 90;  

COD ID: 1545342
CIF file Formula: - C24 H44 N Nd O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1900.52
Cell parameters: 8.6502; 8.6502; 25.3992; 90; 90; 90;  

COD ID: 1545343
CIF file Formula: - C24 H44 N O8 Pr Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1906.52
Cell parameters: 8.6615; 8.6615; 25.413; 90; 90; 90;  

COD ID: 1545344
CIF file Formula: - C24 H44 N O8 Pt2 S8 Sm -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1893.19
Cell parameters: 8.6302; 8.6302; 25.4187; 90; 90; 90;  

COD ID: 1545345
CIF file Formula: - C24 H44 Dy N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1891.4
Cell parameters: 8.6098; 8.6098; 25.515; 90; 90; 90;  

COD ID: 1545346
CIF file Formula: - C24 H44 N O8 Pt2 S8 Tm -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1879.46
Cell parameters: 8.5844; 8.5844; 25.5043; 90; 90; 90;  

COD ID: 1545347
CIF file Formula: - C24 H44 N O8 Pt2 S8 Y -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1881.48
Cell parameters: 8.5854; 8.5854; 25.5257; 90; 90; 90;  

COD ID: 1545348
CIF file Formula: - C24 H44 N O8 Pt2 S8 Yb -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1874.02
Cell parameters: 8.5693; 8.5693; 25.5201; 90; 90; 90;  

COD ID: 1545349
CIF file Formula: - C24 H44 Er N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1880.5
Cell parameters: 8.5857; 8.5857; 25.5107; 90; 90; 90;  

COD ID: 1545350
CIF file Formula: - C24 H44 N O8 Pt2 S8 Tb -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1886.83
Cell parameters: 8.6049; 8.6049; 25.4824; 90; 90; 90;  

COD ID: 1545351
CIF file Formula: - C24 H44 Gd N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1946.54
Cell parameters: 8.68; 8.68; 25.8359; 90; 90; 90;  

COD ID: 1545352
CIF file Formula: - C24 H44 Gd N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1887.66
Cell parameters: 8.6134; 8.6134; 25.4434; 90; 90; 90;  

COD ID: 1545353
CIF file Formula: - C24 H44 Eu N O8 Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1891.84
Cell parameters: 8.6247; 8.6247; 25.4329; 90; 90; 90;  

COD ID: 1545354
CIF file Formula: - C24 H44 Gd N O8 Pd2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1951.72
Cell parameters: 8.6832; 8.6832; 25.8856; 90; 90; 90;  

COD ID: 1545355
CIF file Formula: - C24 H44 N O8 Pd2 S8 Y -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/m c c
Cell volume: 1942.19
Cell parameters: 8.6638; 8.6638; 25.8747; 90; 90; 90;  

COD ID: 1545356
CIF file Formula: - C40 H44 Dy O8 P Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2423.9
Cell parameters: 12.6485; 12.6485; 15.1509; 90; 90; 90;  

COD ID: 1545357
CIF file Formula: - C40 H44 O8 P Pt2 S8 Y -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2423.74
Cell parameters: 12.6436; 12.6436; 15.1616; 90; 90; 90;  

COD ID: 1545358
CIF file Formula: - C40 H44 Gd O8 P Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2514.1
Cell parameters: 12.8; 12.8; 15.345; 90; 90; 90;  

COD ID: 1545359
CIF file Formula: - C40 H44 Ho O8 P Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2421.17
Cell parameters: 12.6459; 12.6459; 15.14; 90; 90; 90;  

COD ID: 1545360
CIF file Formula: - C40 H44 O8 P Pt2 S8 Tb -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2424.6
Cell parameters: 12.6486; 12.6486; 15.1552; 90; 90; 90;  

COD ID: 1545361
CIF file Formula: - C40 H44 Gd O8 P Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2431.9
Cell parameters: 12.6662; 12.6662; 15.1584; 90; 90; 90;  

COD ID: 1545362
CIF file Formula: - C40 H44 Er O8 P Pt2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2418.91
Cell parameters: 12.6367; 12.6367; 15.1479; 90; 90; 90;  

COD ID: 1545363
CIF file Formula: - C40 H44 Gd O8 P Pd2 S8 -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2525
Cell parameters: 12.8122; 12.8122; 15.3823; 90; 90; 90;  

COD ID: 1545364
CIF file Formula: - C40 H44 O8 P Pd2 S8 Y -
Comments: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands Chem. Sci. 8(5) (2017) 3566
Space group: P 4/n
Cell volume: 2518.87
Cell parameters: 12.8004; 12.8004; 15.373; 90; 90; 90;  

COD ID: 1545365
CIF file Formula: - C55 H80 B Mg N3 O3 -
Comments: Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci. 8(5) (2017) 3529
Space group: P 1 21/c 1
Cell volume: 5237.91
Cell parameters: 9.17488; 19.0562; 30.0078; 90; 93.281; 90;  

COD ID: 1545366
CIF file Formula: - C42 H59 Mg N3 O -
Comments: Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci. 8(5) (2017) 3529
Space group: P 1 21/n 1
Cell volume: 3899.1
Cell parameters: 11.59209; 26.2784; 12.80407; 90; 91.4753; 90;  

COD ID: 1545367
CIF file Formula: - C38.5 H57 B Mg N2 O3 -
Comments: Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci. 8(5) (2017) 3529
Space group: P 1 21/n 1
Cell volume: 3707.42
Cell parameters: 13.48093; 14.64625; 18.8268; 90; 94.1686; 90;  

COD ID: 1545368
CIF file Formula: - C22 H37 B2 N O5 -
Comments: Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci. 8(5) (2017) 3529
Space group: P 1 21/n 1
Cell volume: 4912.46
Cell parameters: 11.549; 33.161; 13.3198; 90; 105.633; 90;  

COD ID: 1545369
CIF file Formula: - C19 H30 B N O3 -
Comments: Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci. 8(5) (2017) 3529
Space group: P 31
Cell volume: 1473.9
Cell parameters: 9.7577; 9.7577; 17.8748; 90; 90; 120;  

COD ID: 1545370
CIF file Formula: - C25 H43 B2 N O5 -
Comments: Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci. 8(5) (2017) 3529
Space group: P 21 21 21
Cell volume: 2688.1
Cell parameters: 10.0273; 12.4499; 21.5324; 90; 90; 90;  

COD ID: 1545478
CIF file Formula: - C23 H33 Cl2 N O3 S -
Comments: Saint-Dizier, François; Simpkins, Nigel S. First total synthesis of concavine Chem. Sci. 8(5) (2017) 3384
Space group: I 1 2/a 1
Cell volume: 4599.29
Cell parameters: 26.9274; 5.87596; 29.0682; 90; 90.0555; 90;  

COD ID: 1545511
CIF file Formula: - C47 H62 N6 Ti -
Comments: Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N. Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl) Chem. Sci. 8(5) (2017) 3410
Space group: P -1
Cell volume: 2179
Cell parameters: 10.2323; 13.2844; 16.9919; 100.164; 104.521; 95.151;  

COD ID: 1545512
CIF file Formula: - C46 H55 N4 P Ti -
Comments: Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N. Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl) Chem. Sci. 8(5) (2017) 3410
Space group: P 1 21/c 1
Cell volume: 4620.1
Cell parameters: 18.3497; 10.3436; 25.5974; 90; 108.022; 90;  

COD ID: 1545513
CIF file Formula: - C49 H62 N4 O Ti -
Comments: Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N. Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl) Chem. Sci. 8(5) (2017) 3410
Space group: P -1
Cell volume: 2220.5
Cell parameters: 13.1179; 13.2082; 13.7748; 105.738; 99.727; 98.022;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.