Crystallography Open Database

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7062935 CIFC105 H127.5 Cl3 Co3 N13.5 O28.5R -3 :H38.549; 38.549; 14.249
90; 90; 120
18338Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan
Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study
New Journal of Chemistry, 2024, 48, 2389-2402
7062936 CIFC30 H35.3 Cl Co N6 O9P 1 21/c 111.0647; 16.86; 17.5562
90; 107.436; 90
3124.64Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan
Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study
New Journal of Chemistry, 2024, 48, 2389-2402
7062937 CIFC30 H33 Cl Co N4 O8.5P 1 21/c 112.0243; 19.665; 13.204
90; 91.104; 90
3121.6Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan
Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study
New Journal of Chemistry, 2024, 48, 2389-2402
7062938 CIFC60 H67 Cl Co2 N8 O18P 1 21/c 125.3579; 20.4126; 14.2746
90; 105.537; 90
7118.8Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan
Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study
New Journal of Chemistry, 2024, 48, 2389-2402
7062939 CIFC23 H20 Br N O2P -19.2857; 9.3554; 12.1715
74.363; 76.108; 89.435
986.74Pavithra, Thangavel; Gnanaoli, Karthiyayini; Rajkumar, Deepan Babu; Puhazhendhi, Arulmozhi; Sivalingam, Soumya; Sampath, Natarajan; Nagarajan, Subbiah; Sridharan, Vellaisamy; Maheswari, C. Uma
Modular three-component synthesis of 6H-benzochromenone based blue luminogens under catalyst- and solvent-free conditions
New Journal of Chemistry, 2024, 48, 2175-2182
7062940 CIFC22 H16 Cu F6 N6 O4P -110.1267; 10.9088; 12.076
78.05; 72.589; 76.521
1224.2Uvarova, Marina A.; Lutsenko, Irina A.; Shmelev, Maxim A.; Nefedov, Sergey E.; Bekker, Olga B.; Lashkin, Arseniy I.; Shender, Victoria O.; Eremenko, Igor L.
Research of the influence of anions in complexes [CuPhen(Hpz)2X2] (X = CF3COO−, Otf−, Cl−) on the structure and bioactivity
New Journal of Chemistry, 2024, 48, 717-723
7062941 CIFC18 H16 Cl2 Cu N6P 1 21/c 113.2386; 8.9177; 15.758
90; 95.674; 90
1851.2Uvarova, Marina A.; Lutsenko, Irina A.; Shmelev, Maxim A.; Nefedov, Sergey E.; Bekker, Olga B.; Lashkin, Arseniy I.; Shender, Victoria O.; Eremenko, Igor L.
Research of the influence of anions in complexes [CuPhen(Hpz)2X2] (X = CF3COO−, Otf−, Cl−) on the structure and bioactivity
New Journal of Chemistry, 2024, 48, 717-723
7062942 CIFC20 H16 Cu F6 N6 O6 S2C 1 2/c 116.084; 11.6918; 16.023
90; 119.823; 90
2614.1Uvarova, Marina A.; Lutsenko, Irina A.; Shmelev, Maxim A.; Nefedov, Sergey E.; Bekker, Olga B.; Lashkin, Arseniy I.; Shender, Victoria O.; Eremenko, Igor L.
Research of the influence of anions in complexes [CuPhen(Hpz)2X2] (X = CF3COO−, Otf−, Cl−) on the structure and bioactivity
New Journal of Chemistry, 2024, 48, 717-723
7062943 CIFC12 H44 Co2 Cu3 N12 O28P 1 21/n 19.6581; 28.4118; 13.7644
90; 106.496; 90
3621.5Lagunova, Varvara; Rubilkin, Pavel; Filatov, Evgeny; Plyusnin, Pavel; Kuratieva, Natalia; Korenev, Sergey
Oxalatocuprate(ii) hexaammincobalt(iii) as a precursor of metastable solid solutions in the Co–Cu system
New Journal of Chemistry, 2024, 48, 1578-1586
7062944 CIFC24 H32 N2 O5P 1 21/c 19.8241; 11.6975; 21.881
90; 111.144; 90
2345.2Mohan, Nithya; Sreejith, S. S.; Kurup, M. R. Prathapachandra
A novel Salen-based dual channel sensor for easy and selective nanomolar detection of l-cysteine
New Journal of Chemistry, 2024, 48, 2584-2593
7062945 CIFC54.83 H67.65 Cl1.65 N6 O2P -18.0413; 14.3206; 21.6156
78.691; 88.151; 87.222
2437.3Szymański, Bartosz; Sahoo, Smruti Ranjan; Valiev, Rashid; Vakuliuk, Olena; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Baryshnikov, Glib; Teimouri, Mohammad B.; Gryko, Daniel T.
The effect of rigidity on the emission of quadrupolar strongly polarized dyes
New Journal of Chemistry, 2024, 48, 2416-2420
7062946 CIFC29 H41 N5 O12I 1 2 110.5408; 8.9758; 16.0958
90; 98.351; 90
1506.71Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li
Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters
New Journal of Chemistry, 2024, 48, 1688-1695
7062947 CIFC29 H31 N5 O3P 32 2 19.3538; 9.3538; 24.4673
90; 90; 120
1853.93Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li
Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters
New Journal of Chemistry, 2024, 48, 1688-1695
7062948 CIFC23 H29 N3 O4P 6125.6308; 25.6308; 13.8132
90; 90; 120
7858.7Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li
Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters
New Journal of Chemistry, 2024, 48, 1688-1695
7062949 CIFC23 H32 N4 O2P -19.59358; 10.5593; 11.9248
103.814; 97.5949; 98.8737
1140.9Soam, Pooja; Mandal, Debasish; Tyagi, Vikas
Synthesis of N-fused polycyclic indoles via a Pd-catalyzed multicomponent cascade reaction consisting of an amide-directed [3+1+1] annulation reaction of 3-diazo oxindole and isocyanides
New Journal of Chemistry, 2024, 48, 2639-2648
7062950 CIFC49 H55 Cl Cu2 N8 O16C 1 2/c 114.4011; 16.9452; 22.2478
90; 101.857; 90
5313.3Wang, Ling-Li; Wang, Kai-Tong; Duan, Wen-Long; Luan, Jian; Han, Xiao-Ri
Influence of bridging atoms in copper-based coordination polymers for enhancing urease inhibition activity
New Journal of Chemistry, 2024, 48, 2787-2795
7062951 CIFC30 H24 Cu3 N4 O12P -18.3526; 8.6543; 10.7547
85.213; 75.719; 80.446
742.2Wang, Ling-Li; Wang, Kai-Tong; Duan, Wen-Long; Luan, Jian; Han, Xiao-Ri
Influence of bridging atoms in copper-based coordination polymers for enhancing urease inhibition activity
New Journal of Chemistry, 2024, 48, 2787-2795
7062952 CIFC58 H40 F12 N4 O9 P2 S4P 1 21/c 112.5817; 20.0466; 25.8921
90; 93.079; 90
6521.1Yang, Fei; Li, Yunong; Huang, Kecheng; Wei, Wei; Xu, Yanqing
A cyclophane-based host–guest charge transfer complex for NIR-II photothermal conversion
New Journal of Chemistry, 2024, 48, 2901-2906
7062953 CIFC30 H26 N12 Na6 Ni3 O28 S6C 1 2/c 129.345; 10.413; 18.328
90; 103.632; 90
5443Kalinke, Lucas H. G.; Silva, Mariany S.; Rabelo, Renato; Valdo, Ana K.; Martins, Felipe T.; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Cano, Joan; Cangussu, Danielle
Crystal structure, magnetic properties and theoretical study of a bithiazolebis(oxamate)-containing [NiII3] helicate
New Journal of Chemistry, 2024, 48, 1971-1982
7062954 CIFC12 H20 F6 N2 O4 S2C 1 2/c 123.447; 10.992; 17.992
90; 127.576; 90
3675Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki
Ionic plastic crystals and ionic liquids containing quaternary cations with alkenyl substituents: chemical phase transformations by bromine vapor
New Journal of Chemistry, 2024, 48, 2219-2225
7062955 CIFC8 H12 Br2 F6 N2 O4 S2C 1 2/c 131.144; 7.46; 16.328
90; 117.839; 90
3355Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki
Ionic plastic crystals and ionic liquids containing quaternary cations with alkenyl substituents: chemical phase transformations by bromine vapor
New Journal of Chemistry, 2024, 48, 2219-2225
7062956 CIFC126 H166 Dy4 N20 Ni4 O55C 1 2/c 148.1535; 19.3949; 15.7658
90; 99.221; 90
14533.9Zhu, Yu-Jie; Wang, Hui-Sheng; Chen, Yuxiang; Zhou, Pengfei; Wu, Yanfang; Zhang, Yi-Quan
Synthesis, crystal structure and magnetic properties of octanuclear Ni4Ln4 complexes constructed using a Schiff base ligand and di-2-pyridyl ketone
New Journal of Chemistry, 2024, 48, 3438-3446
7062957 CIFC126 H162 N20 Ni4 O53 Y4C 1 2/c 148.124; 19.4411; 15.7458
90; 99.345; 90
14536Zhu, Yu-Jie; Wang, Hui-Sheng; Chen, Yuxiang; Zhou, Pengfei; Wu, Yanfang; Zhang, Yi-Quan
Synthesis, crystal structure and magnetic properties of octanuclear Ni4Ln4 complexes constructed using a Schiff base ligand and di-2-pyridyl ketone
New Journal of Chemistry, 2024, 48, 3438-3446
7062958 CIFC126 H164 Dy0.09 N20 Ni4 O54 Y3.91C 1 2/c 148.0558; 19.4125; 15.7368
90; 99.265; 90
14489.1Zhu, Yu-Jie; Wang, Hui-Sheng; Chen, Yuxiang; Zhou, Pengfei; Wu, Yanfang; Zhang, Yi-Quan
Synthesis, crystal structure and magnetic properties of octanuclear Ni4Ln4 complexes constructed using a Schiff base ligand and di-2-pyridyl ketone
New Journal of Chemistry, 2024, 48, 3438-3446
7062959 CIFC12 H24 Br4 Cu N2 O4C 2 2 218.3889; 9.8846; 25.0684
90; 90; 90
2078.7Wang, Xianran; Wu, Yuying; Gao, Feng; Wang, Youfu
Chiral zero-dimensional hybrid organic–inorganic metal halides based on nipecotic acid and tetrabromocuprate
New Journal of Chemistry, 2024, 48, 3192-3198
7062960 CIFC12 H24 Br4 Cu N2 O4C 2 2 219.8431; 8.42; 25.19
90; 90; 90
2087.7Wang, Xianran; Wu, Yuying; Gao, Feng; Wang, Youfu
Chiral zero-dimensional hybrid organic–inorganic metal halides based on nipecotic acid and tetrabromocuprate
New Journal of Chemistry, 2024, 48, 3192-3198
7062961 CIFC17 H31 N O3 SiP 1 21 16.1517; 11.1177; 14.455
90; 91.786; 90
988.1Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.
Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins
New Journal of Chemistry, 2024, 48, 2097-2117
7062962 CIFC25 H36 Co2 N2 O10 SiP 21 21 219.0216; 13.8726; 24.6824
90; 90; 90
3089.08Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.
Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins
New Journal of Chemistry, 2024, 48, 2097-2117
7062963 CIFC19 H36 N2 O4 SiP 1 21 19.5029; 44.825; 11.1259
90; 90.692; 90
4738.9Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.
Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins
New Journal of Chemistry, 2024, 48, 2097-2117
7062964 CIFC17 H12 N2 O3P 21 21 214.7263; 15.85; 17.689
90; 90; 90
1325.1Qin, Hui; Wei, Guo-Liang; Zheng, Xiao-Wei; Bao, Mei-Hua; Zhang, Yi-Wen; Huang, Ping
K2S2O8-mediated direct C–H functionalization to synthesize quinoxalin-2(1H)-one derivatives in water
New Journal of Chemistry, 2024, 48, 2945-2949
7062965 CIFC13 H28 Cl Cu N7 O3P -18.3648; 11.0439; 11.5384
107.679; 103.872; 106.779
907.55Hajibabaei, Farshid; Salehzadeh, Sadegh; Derakhshandeh, Katayoun; Gable, Robert William
A new Cu(ii) complex derived from the reaction between tris(2-aminoethyl)amine and Cu(i)-activated acetonitrile with potent anticancer activity against some cell lines and high affinity for the essential proteins of SARS-CoV-2
New Journal of Chemistry, 2024, 48, 2251-2260
7062966 CIFB4 H16 ZrP -4 3 m5.955; 5.955; 5.955
90; 90; 90
211.2Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian
Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures
New Journal of Chemistry, 2024, 48, 2743-2754
7062967 CIFB4 H16 HfP -4 3 m5.946; 5.946; 5.946
90; 90; 90
210.2Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian
Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures
New Journal of Chemistry, 2024, 48, 2743-2754
7062968 CIFC34 H38 Cd2 Cl2 N6 S2P -19.0044; 10.0424; 10.5406
75.097; 72.253; 88.38
875.95Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.
Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand
New Journal of Chemistry, 2024, 48, 2547-2557
7062969 CIFC14 H16 Cl Hg N3 SP 1 21/c 112.5678; 7.6751; 16.4006
90; 96.284; 90
1572.5Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.
Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand
New Journal of Chemistry, 2024, 48, 2547-2557
7062970 CIFC29 H36 Cd2 Cl2 N6 O S2C 1 2/c 121.3846; 9.4379; 16.6623
90; 101.61; 90
3294.08Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.
Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand
New Journal of Chemistry, 2024, 48, 2547-2557
7062971 CIFC36 H42 Cd2 Cl2 N6 S2P -19.5643; 9.6576; 11.126
104.832; 105.857; 91.085
951.27Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.
Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand
New Journal of Chemistry, 2024, 48, 2547-2557
7062972 CIFF3 K2 Nb O2P n a 217.6269; 11.8526; 5.70105
90; 90; 90
515.37Belokoneva, Elena L.; Stefanovich, Sergey Yu.; Volkov, Anatoly S.; Dimitrova, Olga V.; Mozgova, Alexandra
New nonlinear optical oxyfluoride K2NbO2F3 with strong pseudo-centrosymmetry, obtained by mild hydrothermal synthesis
New Journal of Chemistry, 2024, 48, 2569-2575
7062973 CIFC132.326 H160.2 Ca4 N21.442 Ni8 O84.1P 42/n :217.8062; 17.8062; 27.5424
90; 90; 90
8732.6Kajal,; Vinayak, Richa; Gómez-García, Carlos J.; Benmansour, Samia; Nayek, Hari Pada
Quadruple bridged-carbonate supported dodecanuclear [Ni8Ca4] coordination cluster
New Journal of Chemistry, 2024, 48, 3239-3246
7062974 CIFC12 H11 O4P 1 21/n 17.804; 8.861; 15.717
90; 100.925; 90
1067.2De, Arijit; Manna, Tanaya; Debnath, Subhas Chandra; Husain, Syed Masood
Organophotoredox-catalyzed stereoselective reductive dimerization of chromone-2-carboxylic esters
New Journal of Chemistry, 2024, 48, 1902-1906
7062975 CIFC14 H14 N6 OI 1 a 18.1801; 17.2524; 9.1978
90; 101.362; 90
1272.61Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun
A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
New Journal of Chemistry, 2024, 48, 3467-3471
7062976 CIFC19 H18 N6 O2P 1 21/c 114.0018; 10.3586; 12.8117
90; 105.501; 90
1790.61Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun
A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
New Journal of Chemistry, 2024, 48, 3467-3471
7062977 CIFC30 H32 N12 O2P b c a17.2325; 18.0052; 18.4076
90; 90; 90
5711.41Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun
A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
New Journal of Chemistry, 2024, 48, 3467-3471
7062978 CIFC6 H9 N6 O2P n m a14.1035; 6.3113; 9.5102
90; 90; 90
846.52Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun
A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
New Journal of Chemistry, 2024, 48, 3467-3471
7062979 CIFC10 H18 Cl4 N4 PdP 1 21/n 18.6646; 8.0989; 12.187
90; 103.52; 90
831.5Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun
A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
New Journal of Chemistry, 2024, 48, 3467-3471
7062980 CIFC168 H96 Cd6 O28 SP 3 1 c19.7106; 19.7106; 26.2488
90; 90; 120
8831.6Zhang, Jinfang; Zhao, Shunchang; Tao, Xingyu; Chen, Qinghan; Yin, Dejing; Zhang, Chi
An AIE-ligand-based coordination polymer with a new wheel-shaped Cd6 cluster, a unique bamboo-like architecture and highly efficient dual-response sensing properties
New Journal of Chemistry, 2024, 48, 3656-3664
7062981 CIFC34 H23 O10 TbP -110.629; 10.842; 17.852
95.87; 102.724; 97.703
1970.1Weng, Guang-Ju; Cheng, Kang-Min; Wu, Jia-Qi; Li, Wei; Lu, Jian-Mei; Shao, Li-Xiong
Construction of a terbium-based metal–organic framework for specific detection of MnO4− in aqueous media
New Journal of Chemistry, 2024, 48, 3588-3593
7062982 CIFC18 H20 Cl2 Cu N4 O10P 1 21/c 15.1215; 20.904; 10.697
90; 101.86; 90
1120.8Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat
Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses
New Journal of Chemistry, 2024, 48, 3829-3848
7062983 CIFC22 H30 Cl2 Cu N6 O10P 1 21/c 111.6447; 6.2469; 19.4239
90; 97.353; 90
1401.3Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat
Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses
New Journal of Chemistry, 2024, 48, 3829-3848
7062984 CIFC22 H30 Cl2 Cu N6 O10P -17.2188; 7.2384; 13.1301
96.606; 90.314; 99.721
671.52Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat
Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses
New Journal of Chemistry, 2024, 48, 3829-3848

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