Crystallography Open Database

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1574085 CIFC12 H16 I2 N4 O SmP 1 21/m 19.0249; 8.0968; 12.6429
90; 94.567; 90
920.92Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.
Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism
Chemical Science, 2025, 16, 6879-6885
1574086 CIFC12 H16 I2 N4 O SrP 1 21/m 19.0739; 8.2039; 12.7161
90; 94.74; 90
943.366Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.
Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism
Chemical Science, 2025, 16, 6879-6885
1574087 CIFC12 H16 Ca I2 N4 OP 1 21/m 18.9739; 7.9879; 12.6087
90; 94.22; 90
901.37Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.
Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism
Chemical Science, 2025, 16, 6879-6885
1574088 CIFC12 H16 I2 N4 O SmP 1 21/m 19.07712; 8.15614; 12.7219
90; 94.6744; 90
938.72Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.
Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism
Chemical Science, 2025, 16, 6879-6885
1574089 CIFC39 H42 I2 N6 O4P -114.2539; 17.2346; 17.3593
106.528; 102.26; 90.213
3985.7Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo
Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple
Chemical Science, 2025, 16, 6257-6264
1574090 CIFC40 H42 Br3 Cl2 N6 O4 PdP 1 21/c 111.0685; 27.3218; 14.8974
90; 110.129; 90
4230Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo
Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple
Chemical Science, 2025, 16, 6257-6264
1574091 CIFC76 H55 B Cl F26 N7 O4 PdP -113.7465; 13.7475; 21.0944
72.438; 78.222; 81.747
3706.2Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo
Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple
Chemical Science, 2025, 16, 6257-6264
1574092 CIFC138 H96 N12 Pd3P -124.626; 24.7677; 25.97
69.586; 75.581; 63.458
13198.3Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming
Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.
Chemical science, 2025, 16, 6114-6120
1574093 CIFC282 H204 N24 Pd6P -3 1 c26.235; 26.235; 46.357
90; 90; 120
27632Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming
Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.
Chemical science, 2025, 16, 6114-6120
1574094 CIFC176 H128 N16 Pd4I m -3 m43.65; 43.65; 43.65
90; 90; 90
83167Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming
Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.
Chemical science, 2025, 16, 6114-6120
1574097 CIFC14 H17 N OP 1 21 18.046; 18.2634; 8.5597
90; 108.345; 90
1193.9Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo
Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters
Chemical Science, 2025, 16, 6425-6433
1574098 CIFC23 H24.5 N O1.75P 1 21 18.9633; 18.6929; 11.3785
90; 90.154; 90
1906.46Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo
Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters
Chemical Science, 2025, 16, 6425-6433
1574099 CIFC112 H276 Mo12 N40 O138 Pd4 SiP 6355.438; 55.438; 34.467
90; 90; 120
91738Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu
Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks
Chemical Science, 2025, 16, 7956-7962
1574100 CIFC112 H319 N40 O151.5 Pd4 W10I 41/a :257.774; 57.774; 36.483
90; 90; 90
121774Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu
Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks
Chemical Science, 2025, 16, 7956-7962
1574101 CIFC112 H228 N40 O114 Pd4 Si W12P 1 21/n 133.1786; 35.0845; 58.0136
90; 89.8996; 90
67530.9Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu
Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks
Chemical Science, 2025, 16, 7956-7962
1574102 CIFC33 H45 B Cl3 N2 P SiP -19.0296; 9.2046; 23.1133
89.022; 79.051; 63.4122
1681.56Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond
Chemical Science, 2025, 16, 6763-6769
1574103 CIFC36 H54 B N2 P Si2P 1 21/c 111.8487; 10.1385; 30.475
90; 94.814; 90
3648Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond
Chemical Science, 2025, 16, 6763-6769
1574104 CIFC66 H90 B2 K2 N4 P2 Si2P -18.9473; 12.225; 15.6398
87.641; 89.746; 71.362
1619.5Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond
Chemical Science, 2025, 16, 6763-6769
1574105 CIFC43 H59 B F3 N2 O3 P S SiP 1 21/n 116.6108; 10.1947; 25.8173
90; 90.071; 90
4372Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond
Chemical Science, 2025, 16, 6763-6769
1574106 CIFC47 H61 B Ir N2 P SiP -115.2155; 15.695; 18.597
90.735; 105.707; 98.278
4224.5Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond
Chemical Science, 2025, 16, 6763-6769
1574107 CIFC81 H111 B2 Cu2 N4 P3 Si2P 1 21/c 115.9089; 12.3323; 40.245
90; 100.86; 90
7754.4Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond
Chemical Science, 2025, 16, 6763-6769
1574108 CIFC52 H34 B N O2P b c a9.7393; 24.5507; 30.8103
90; 90; 90
7366.9Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie
Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification
Chemical Science, 2025, 16, 6434-6442
1574109 CIFC54 H38 B N O2P b c a8.8277; 27.8654; 31.786
90; 90; 90
7819Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie
Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification
Chemical Science, 2025, 16, 6434-6442
1574110 CIFC53 H36 B N O2P 1 21/n 116.7197; 8.873; 26.3102
90; 101.453; 90
3825.5Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie
Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification
Chemical Science, 2025, 16, 6434-6442
1574111 CIFC241 H183 Ag7.17 Cl2 Cu39.83 F36 O24 P6 Se18C 1 c 121.2386; 36.7068; 38.4701
90; 98.345; 90
29673.8Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-en; Zheng, Nanfeng; Shen, Hui
Eight-electron copper-hydride nanoclusters: synthesis, structure, alloying chemistry and photoluminescence
Chemical Science, 2025, 16, 6392-6401
1574112 CIFC207 H156 Cl6 Cu47 F36 O24 P5 Se15P 63/m21.8398; 21.8398; 33.3259
90; 90; 120
13766.1Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-en; Zheng, Nanfeng; Shen, Hui
Eight-electron copper-hydride nanoclusters: synthesis, structure, alloying chemistry and photoluminescence
Chemical Science, 2025, 16, 6392-6401
1574113 CIFC38 H32 Cl4 Cu I O P2P 1 21/c 113.5563; 20.737; 14.8064
90; 116.901; 90
3711.92Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming
CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction
Chemical Science, 2025, 16, 6872-6878
1574114 CIFC40 H34 Cu I N2 O P2P 1 21/n 113.3463; 20.206; 14.7519
90; 116.536; 90
3559.1Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming
CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction
Chemical Science, 2025, 16, 6872-6878
1574115 CIFC72 H56 Cu2 I2 O2 P4P 1 21/c 113.4634; 18.73432; 23.9159
90; 147.569; 90
3235Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming
CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction
Chemical Science, 2025, 16, 6872-6878
1574116 CIFC73.6 H56 Cu2 I2 O5.12 P4P 1 21/n 113.3073; 19.2892; 14.7456
90; 116.688; 90
3381.77Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming
CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction
Chemical Science, 2025, 16, 6872-6878
1574117 CIFC36 H28 Cu I O P2P 1 21/c 113.5886; 18.8697; 14.651
90; 117.565; 90
3330.27Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming
CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction
Chemical Science, 2025, 16, 6872-6878
1574118 CIFC72.8 H56 Cu2 I2 O3.6 P4P 1 21/c 113.4567; 19.338; 14.8468
90; 116.934; 90
3444.44Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming
CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction
Chemical Science, 2025, 16, 6872-6878
1574119 CIFC16 H17 Cl N4 OI 1 2/a 17.506; 11.5648; 34.8112
90; 90.678; 90
3021.59Zhu, Shiyang; Zhang, Hairuo; Sun, Boyang; Bai, Ziqian; He, Gang; Chen, Gong; Wang, Hao
Nitrene-mediated aminative N–N–N coupling: facile access to triazene 1-oxides
Chemical Science, 2025, 16, 6458-6467
1574130 CIFC99.5 H88 N2 O4 Si4 TbP -117.3266; 23.1849; 24.3639
93.487; 110.59; 109.064
8487.2Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping
Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties
Chemical Science, 2025, 16, 6805-6811
1574131 CIFC104 H112 N2 O12 Si4 TbC 1 2/c 122.7842; 18.3307; 23.9399
90; 111.875; 90
9278.6Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping
Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties
Chemical Science, 2025, 16, 6805-6811
1574132 CIFC105 H92 N2 O4 Si4 TbP -117.784; 21.25; 25.315
109.025; 101.84; 90.039
8828.2Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping
Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties
Chemical Science, 2025, 16, 6805-6811
1574133 CIFC208 H224 N4 O18 Si8 Tb2F d d d :232.278; 34.1126; 39.4068
90; 90; 90
43390Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping
Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties
Chemical Science, 2025, 16, 6805-6811
1574134 CIFC210 H188 N4 O8 Si8 Tb2P -117.8325; 21.184; 25.671
109.037; 101.48; 90.122
8960.2Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping
Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties
Chemical Science, 2025, 16, 6805-6811
1574135 CIFC21 H12 I N SeP 4110.9435; 10.9435; 14.7482
90; 90; 90
1766.25Li, Yuanyuan; Tao, Chenyu; Duan, Longhui; Gu, Zhenhua
Observation of the solvent enantio-isotope effect in asymmetric ring-opening of cyclic diaryliodoniums with selenocyanate
Chemical Science, 2025, 16, 6488-6494
1574136 CIFC22 H21 I N2 O SeP 19.3735; 11.1993; 11.3482
63.903; 80.905; 86.542
1056.34Li, Yuanyuan; Tao, Chenyu; Duan, Longhui; Gu, Zhenhua
Observation of the solvent enantio-isotope effect in asymmetric ring-opening of cyclic diaryliodoniums with selenocyanate
Chemical Science, 2025, 16, 6488-6494
1574137 CIFC272 H264 Cl45 N3 O6P -121.8575; 27.0119; 27.2218
78.849; 76.57; 80.26
15206.9Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei
A triply linked propellane-nanoring hybrid serving as a good host
Chemical Science, 2025, 16, 6822-6827
1574138 CIFC82 H88 Cl12C 1 2/c 116.4184; 29.5605; 16.8961
90; 101.849; 90
8025.56Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei
A triply linked propellane-nanoring hybrid serving as a good host
Chemical Science, 2025, 16, 6822-6827
1574139 CIFC528 H353 N3 O6P -122.4394; 25.032; 34.7003
84.936; 79.688; 67.852
17756.8Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei
A triply linked propellane-nanoring hybrid serving as a good host
Chemical Science, 2025, 16, 6822-6827
1574140 CIFC14 H8 Cl F3 O5 SP -16.6746; 8.0822; 13.784
95.756; 99.723; 97.231
721.43Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf
A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads
Chemical Science, 2025, 16, 6240-6256
1574141 CIFC14 H8 F3 I O5 SP -17.0091; 10.6673; 11.7572
63.23; 75.79; 85.689
760.2Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf
A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads
Chemical Science, 2025, 16, 6240-6256
1574142 CIFC14 H8 Br F3 O5 SP 1 21/n 16.4902; 18.8943; 12.3367
90; 95.462; 90
1505.95Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf
A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads
Chemical Science, 2025, 16, 6240-6256
1574150 CIFC57 H77 K N O6 PP -113.0425; 14.2978; 15.5953
95.495; 99.469; 108.484
2686.4Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
Coordination isomerism in dioxophosphorane cyanides
Chemical Science, 2025, 16, 6909-6917
1574151 CIFC57 H77 N Na O8 PP -110.4814; 20.0122; 26.3567
91.519; 99.269; 99.707
5370Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
Coordination isomerism in dioxophosphorane cyanides
Chemical Science, 2025, 16, 6909-6917
1574152 CIFC57.01 H77.01 K N O6 P S2P 1 21/n 112.4061; 40.667; 22.5868
90; 91.183; 90
11393Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
Coordination isomerism in dioxophosphorane cyanides
Chemical Science, 2025, 16, 6909-6917
1574153 CIFC55 H73 N Na O7 PP -112.76; 12.763; 16.898
92.4; 107.37; 91.81
2621.3Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
Coordination isomerism in dioxophosphorane cyanides
Chemical Science, 2025, 16, 6909-6917
1574154 CIFC86 H122 N2 Na2 O12 P2P -114.5215; 18.3696; 20.0346
82.909; 83.658; 77.776
5163.6Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
Coordination isomerism in dioxophosphorane cyanides
Chemical Science, 2025, 16, 6909-6917
1574155 CIFC44.5 H61 N Na O5 PP -114.468; 17.705; 18.868
70.73; 77.25; 75.49
4366.2Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
Coordination isomerism in dioxophosphorane cyanides
Chemical Science, 2025, 16, 6909-6917
1574156 CIFC57 H77 K N O7 PP 1 21/c 110.4542; 20.5804; 25.3528
90; 92.771; 90
5448.3Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
Coordination isomerism in dioxophosphorane cyanides
Chemical Science, 2025, 16, 6909-6917
1574157 CIFC57 H77 K N O8 PP -110.4129; 14.6924; 19.2865
98.68; 90.422; 110.288
2730.22Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
Coordination isomerism in dioxophosphorane cyanides
Chemical Science, 2025, 16, 6909-6917
1574158 CIFC12 H12 Br F2 N O SP 19.5072; 11.2492; 13.1335
92.018; 92.253; 106.884
1341.42Baldon, Simone; Paut, Julien; Anselmi, Elsa; Dagousset, Guillaume; Tuccio, Béatrice; Pelosi, Giorgio; Cuadros, Sara; Magnier, Emmanuel; Dell’Amico, Luca
Radical photochemical difluorosulfoximination of alkenes and propellanes
Chemical Science, 2025, 16, 6957-6964
1574160 CIFC55 H79 As Ga N4 PP 1 21/c 121.3086; 13.9591; 20.6685
90; 118.573; 90
5399.07Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574161 CIFC68 H93 As Ga N5 O PP 1 21/n 112.2864; 25.6905; 20.8532
90; 92.473; 90
6576.05Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574162 CIFC62 H93 As Ga N4 O2 PP 1 21/c 113.3562; 24.7151; 18.592
90; 91.831; 90
6134.08Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574163 CIFC129.5 H200 As2 Ga2 N8 P2 S4P -118.1433; 18.6339; 20.1323
77.529; 85.25; 79.331
6524.4Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574164 CIFC74 H107 As Ga N6 PP 21 21 2113.4475; 20.8956; 24.4457
90; 90; 90
6869.08Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574165 CIFC68 H107 Ga N4 P2 S2P 1 21 115.3228; 14.2179; 15.4652
90; 92.946; 90
3364.77Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574166 CIFC62 H91 As Ga N7 PP -112.6878; 22.5101; 22.5732
75.984; 77.148; 87.776
6097.57Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574167 CIFC86 H109 As Ga N4 O PP 1 21/c 121.6461; 16.5972; 22.5185
90; 106.036; 90
7775.3Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574168 CIFC57 H79 As Ga N4 O4 PP n a 2116.3651; 18.4812; 18.6521
90; 90; 90
5641.27Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574169 CIFC63 H87 As Ga N4 O P SP n a 2126.5128; 13.4752; 33.7623
90; 90; 90
12062.1Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
Chemical Science, 2025, 16, 7397-7410
1574170 CIFC176 H80 In8 O64F m m 224.3316; 30.387; 18.6976
90; 90; 90
13824.3Li, Jiantang; Song, Zitong; Zhou, Xia; Wang, Xue; Feng, Meng; Wang, Dongmei; Chen, Banglin
Reticular chemistry guided function customization: a case study of constructing low-polarity channels for efficient C3H6/C2H4 separation
Chemical Science, 2025, 16, 7411-7417
1574171 CIFC29 H31 I N PP 1 21/c 111.1724; 14.0119; 17.0939
90; 99.724; 90
2637.5Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin
Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting
Chemical Science, 2025, 16, 7239-7248
1574172 CIFC29 H31 B F4 N PP 1 21/n 19.6378; 8.2283; 32.674
90; 94.38; 90
2583.6Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin
Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting
Chemical Science, 2025, 16, 7239-7248
1574173 CIFC30 H31 F3 N O3 P SP 21 21 219.2871; 13.5822; 21.8141
90; 90; 90
2751.61Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin
Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting
Chemical Science, 2025, 16, 7239-7248
1574174 CIFC22 H24 B10P 1 21/n 111.896; 12.504; 14.801
90; 99.23; 90
2173.1Yuhara, Kazuhiro; Tanaka, Kazuo
Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
Chemical Science, 2025, 16, 6495-6506
1574175 CIFC22 H22 B10 Br2C 1 2/c 130.14; 10.366; 17.799
90; 123.658; 90
4628.7Yuhara, Kazuhiro; Tanaka, Kazuo
Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
Chemical Science, 2025, 16, 6495-6506
1574176 CIFC26 H26 B10 SP -19.459; 11.316; 12.775
109.65; 100.826; 99.41
1226.3Yuhara, Kazuhiro; Tanaka, Kazuo
Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
Chemical Science, 2025, 16, 6495-6506
1574177 CIFC22 H23 B10 BrC 1 2/c 130.08; 10.105; 17.857
90; 124.97; 90
4448Yuhara, Kazuhiro; Tanaka, Kazuo
Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
Chemical Science, 2025, 16, 6495-6506
1574178 CIFC22 H24 B10P 1 21/n 111.912; 12.511; 14.825
90; 99.261; 90
2180.6Yuhara, Kazuhiro; Tanaka, Kazuo
Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
Chemical Science, 2025, 16, 6495-6506
1574179 CIFC22 H24 B10P 1 21/n 111.91; 12.514; 14.838
90; 99.142; 90
2183.4Yuhara, Kazuhiro; Tanaka, Kazuo
Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
Chemical Science, 2025, 16, 6495-6506
1574180 CIFC30 H28 B10 S2P 1 21/c 111.075; 19.436; 13.485
90; 97.585; 90
2877.3Yuhara, Kazuhiro; Tanaka, Kazuo
Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
Chemical Science, 2025, 16, 6495-6506
1574181 CIFC26.25 H23.5 Br Cl0.5 N O2 PP 110.6028; 14.0739; 18.2273
79.307; 73.787; 73.152
2483.4Luo, Shihui; Yuan, Xinzhu; Cheng, Jiangtao; Yang, Zhiping; Huang, Zhongxing; Wang, Jun (Joelle)
Enantioselective Zn-catalyzed hydrophosphinylation of nitrones: an efficient approach for constructing chiral α-hydroxyamino-phosphine oxides
Chemical Science, 2025, 16, 7051-7056
1574182 CIFC66 H46 B2 N2 O2R -3 :H41.575; 41.575; 17.6054
90; 90; 120
26354Wang, Xiaowei; Hua, Tao; Li, Nengquan; Chen, Guohao; Chen, Zhanxiang; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo
Narrowband multi-resonance pure-red emitters via enhanced molecular orbital delocalization for high-performance organic light-emitting diodes
Chemical Science, 2025, 16, 7495-7502
1574183 CIFC28 H34 Br K0.89 N2 Na0.11 O10P -17.2681; 10.3927; 19.5823
89.272; 87.184; 87.05
1475.3Zaleskaya-Hernik, Marta; Salam, Rayhanus; González, Mario J.; Wilczek, Marcin; Dobrzycki, Łukasz; Busschaert, Nathalie; Romański, Jan
Squaramide-based ion pair receptors can facilitate transmembrane transport of KCl and zwitterions including highly polar amino acids
Chemical Science, 2025, 16, 6982-6990
1574186 CIFC80 H60 N6 O13C 1 2 120.1153; 24.4281; 15.72562
90; 89.9918; 90
7727.23Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie
Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence
Chemical Science, 2025, 16, 7513-7522
1574187 CIFC55 H38 Cl4 N4 O8R 3 2 :H24.6956; 24.6956; 25.1324
90; 90; 120
13274.1Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie
Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence
Chemical Science, 2025, 16, 7513-7522
1574188 CIFC193 H141 Cl21 N12 O24R 3 2 :H24.0509; 24.0509; 25.9832
90; 90; 120
13016.3Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie
Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence
Chemical Science, 2025, 16, 7513-7522
1574189 CIFC55 H38 Cl4 N4 O8R 3 2 :H24.712; 24.712; 25.1045
90; 90; 120
13276.9Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie
Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence
Chemical Science, 2025, 16, 7513-7522
1574190 CIFC57 H40 Cl2 N4 O8R 3 :H24.6536; 24.6536; 25.2258
90; 90; 120
13278.1Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie
Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence
Chemical Science, 2025, 16, 7513-7522
1574191 CIFC180 H120 N12 O24R 3 2 :H24.0472; 24.0472; 25.966
90; 90; 120
13003.6Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie
Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence
Chemical Science, 2025, 16, 7513-7522
1574192 CIFC84 H80 Cl6 O4 S2I 1 2/a 125.5478; 20.7666; 31.3909
90; 110.188; 90
15631Zhang, Ruiying; Chen, Xinyu; Zhu, Lingyun; Huang, Yanxia; Zhai, Zi'ang; Wang, Qiang; Wang, Lingding; Wang, Taosong; Wang, Wei-Zhen; Ye, Ke-Yin; Li, Yuanming
Thiophene-backbone arcuate graphene nanoribbons: shotgun synthesis and length dependent properties
Chemical Science, 2025, 16, 7366-7373
1574193 CIFC82 H78 S2P 1 21/c 110.3995; 16.4712; 40.5773
90; 91.448; 90
6948.36Zhang, Ruiying; Chen, Xinyu; Zhu, Lingyun; Huang, Yanxia; Zhai, Zi'ang; Wang, Qiang; Wang, Lingding; Wang, Taosong; Wang, Wei-Zhen; Ye, Ke-Yin; Li, Yuanming
Thiophene-backbone arcuate graphene nanoribbons: shotgun synthesis and length dependent properties
Chemical Science, 2025, 16, 7366-7373
1574195 CIFC40.5 H61 Mo O3 P2 SP -111.6654; 19.2138; 19.8632
93.254; 103.495; 105.235
4143.8Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.
Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion
Chemical Science, 2025, 16, 7347-7365
1574196 CIFC35 H55 I Mo N P2 SP -110.0985; 12.043; 16.428
76.957; 82.444; 73.782
1863.9Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.
Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion
Chemical Science, 2025, 16, 7347-7365
1574197 CIFC41 H65.5 Mo N O2 P2 SP c c a31.877; 14.204; 18.861
90; 90; 90
8540Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.
Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion
Chemical Science, 2025, 16, 7347-7365
1574198 CIFC41 H63 Cl I Mo N P2 SP 1 21/c 118.017; 13.531; 18.041
90; 97.035; 90
4365.1Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.
Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion
Chemical Science, 2025, 16, 7347-7365
1574199 CIFC38 H63.5 Mo N5 O0.75 P2 SP c c a31.9495; 14.14073; 18.9898
90; 90; 90
8579.39Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.
Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion
Chemical Science, 2025, 16, 7347-7365
1574200 CIFC37 H60 Cl3 Mo O0.5 P2 SC 1 2/c 137.379; 11.6548; 37.069
90; 90.266; 90
16149Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.
Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion
Chemical Science, 2025, 16, 7347-7365
1574201 CIFC17 H14 F3 N3 O2 SP -14.9533; 16.174; 32.778
101.872; 93.3; 97.149
2540.5Zhou, Zhengzheng; Joshi, Vikram Chandrashekhar; Guo, Yiwang; Xiang, Tianyi; Wang, Zijian; Sun, Changquan Calvin
How elastically flexible can molecular crystals be? - a new record.
Chemical science, 2025, 16, 5797-5802
1574203 CIFC32 H32 F3 O4 P SP c a 2117.014; 9.10342; 18.838
90; 90; 90
2917.73Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.
Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy
Chemical Science, 2025, 16, 6991-7003
1574204 CIFC29 H25 Cl3 F3 O4 P SP 1 21/n 19.49648; 16.7085; 18.7984
90; 95.9804; 90
2966.55Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.
Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy
Chemical Science, 2025, 16, 6991-7003
1574205 CIFC32 H32 N10 O12 Zn2C 1 2/c 19.7701; 13.8333; 25.5578
90; 95.956; 90
3435.56Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J.
Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection
Chemical Science, 2025, 16, 7902-7911
1574206 CIFC38 H37 F6 N9 O11 Zn2P -110.165; 10.5732; 20.3723
100.082; 101.234; 94.294
2100.92Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J.
Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection
Chemical Science, 2025, 16, 7902-7911
1574207 CIFC36 H64 Cr O2 Si5P 1 21/m 112.061; 15.143; 12.602
90; 97.363; 90
2282.6Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.
Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)
Chemical Science, 2025, 16, 7773-7793
1574208 CIFC36 H64 O2 Si5 WP -111.5444; 12.8236; 15.6549
75.7391; 73.0022; 83.412
2145.74Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.
Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)
Chemical Science, 2025, 16, 7773-7793

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