Crystallography Open Database

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1572382 CIFC102 H238 Ag33 O34 P17 Pt2 S34C 1 2/c 144.382; 17.68; 28.939
90; 111.569; 90		21118Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.
Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.
Chemical science, 2024, 15, 14660-14667
1572383 CIFC102 H239 Ag32 O34 P17 Pt2 S34P -119.4846; 20.7482; 30.0519
98.0114; 102.16; 116.039		10292.6Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.
Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.
Chemical science, 2024, 15, 14660-14667
1572384 CIFC23 H18 OP 21 21 2110.33817; 10.45428; 14.51868
90; 90; 90		1569.15Liu, Shuxuan; Zhang, Chaoshen; Han, Zhengyu; Huang, Hai; Sun, Jianwei
Organocatalytic enantio- and diastereoselective assembly of cyclopropane-incorporated polycyclic molecules <i>via</i> isobenzopyrylium ions.
Chemical science, 2024, 15, 15274-15279
1572399 CIFC28 H33 B Cl5 F N2 OP 1 21/n 18.5595; 18.0868; 18.9345
90; 99.522; 90		2890.94Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor
Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.
Chemical science, 2024, 15, 15679-15689
1572400 CIFC29 H31 B Cl5 F N2.2 OC 1 c 110.208; 17.008; 20.085
90; 91.581; 90		3485.8Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor
Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.
Chemical science, 2024, 15, 15679-15689
1572401 CIFC25 H23 N OP 1 21/n 116.53; 5.9431; 20.4998
90; 110.449; 90		1886.98Wu, Fu-Peng; Lenz, Madina; Suresh, Adhya; Gogoi, Achyut R.; Tyler, Jasper L.; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank
Nitrogen-to-functionalized carbon atom transmutation of pyridine.
Chemical science, 2024, 15, 15205-15211
1572402 CIFC32 H26 O4F d d 230.9566; 17.6585; 8.2176
90; 90; 90		4492.13Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.
Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.
Chemical science, 2024, 15, 14968-14976
1572403 CIFC33.5 H26 O5.5P -110.4986; 11.6083; 12.2425
97.683; 106.716; 100.894		1374.87Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.
Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.
Chemical science, 2024, 15, 14968-14976
1572404 CIFC46 H26 Cl4 N4 O4P -110.0081; 14.3562; 14.6779
63.466; 75.953; 81.918		1829.09Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.
Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.
Chemical science, 2024, 15, 14968-14976
1572405 CIFC30 H16 D12 O6 S3P 1 21/n 110.5199; 18.4144; 13.8648
90; 98.763; 90		2654.5Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.
Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.
Chemical science, 2024, 15, 14968-14976
1572406 CIFC30 H22 O4C 1 2/c 117.9101; 8.2287; 14.3468
90; 105.751; 90		2034.99Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.
Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.
Chemical science, 2024, 15, 14968-14976
1572407 CIFC31 H26 O5P -110.2376; 10.4837; 12.0766
107.559; 103.934; 103.55		1131.5Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.
Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.
Chemical science, 2024, 15, 14968-14976
1572408 CIFC5 H13 Br4 Cl Ga NP c a 2114.0655; 7.6705; 13.2164
90; 90; 90		1425.91Wang, Bin; Li, Zhirui; Tang, Zhengxiao; Zhao, Haixia; Long, Lasheng; Zheng, Lansun
Achievement of a giant electromechanical conversion coefficient in a molecule-based ferroelectric.
Chemical science, 2024, 15, 15192-15197
1572409 CIFC70 H60 B N3P -111.1226; 15.8329; 15.9866
104.893; 90.229; 96.128		2703.7Huang, Tingting; Yuan, Li; Lu, Xueying; Qu, Yupei; Qu, Cheng; Xu, Yincai; Zheng, You-Xuan; Wang, Yue
Efficient circularly polarized multiple resonance thermally activated delayed fluorescence from B,N-embedded hetero[8]helicene enantiomers.
Chemical science, 2024, 15, 15170-15177
1572410 CIFC54 H36 Cl10 Ga3P 1 21 112.5889; 15.8207; 12.628
90; 94.562; 90		2507.1Bhattacharjee, Rameswar; McCormack, Megan E.; Zhou, Zheng; Wei, Zheng; Petrukhina, Marina A.; Kertesz, Miklos
A unique trimeric triphenylene radical cation: stacking aggregation, bonding, and stability.
Chemical science, 2024, 15, 15221-15231
1572416 CIFC36 H50 Cl2 Cu N6P 1 21/n 114.4097; 5.8858; 21.876
90; 92.905; 90		1853Gillhuber, Sebastian; Holloway, Joshua O.; Mundsinger, Kai; Kammerer, Jochen A.; Harmer, Jeffrey R.; Frisch, Hendrik; Barner-Kowollik, Christopher; Roesky, Peter W.
Visible light photoflow synthesis of a Cu(ii) single-chain polymer nanoparticle catalyst.
Chemical science, 2024, 15, 15280-15290
1572417 CIFC4 H12 Ag Br2 NI m m m6.7744; 9.1274; 15.003
90; 90; 90		927.7Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya
Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.
Chemical science, 2024, 15, 15907-15912
1572418 CIFC4 H12 Ag Br2 NI m m m6.797; 9.193; 15.12
90; 90; 90		944.8Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya
Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.
Chemical science, 2024, 15, 15907-15912
1572419 CIFC4 H12 Ag Br2 NI m m m6.7923; 9.1285; 15.017
90; 90; 90		931.1Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya
Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.
Chemical science, 2024, 15, 15907-15912
1572420 CIFC46.7 H61.91 Au0.73 Cl3.43 N5 O0.54 PtP 1 21/n 119.7827; 24.1706; 21.6782
90; 103.752; 90		10068.5Dietl, Martin C.; Maag, Melina; Ber, Sophia; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Andele, Pacome K.; Mkhalid, Ibraheem A. I.; Rizzolio, Flavio; Nogara, Pablo A.; Orian, Laura; Scattolin, Thomas; Hashmi, A Stephen K
Comparative study of the antiproliferative activity of heterometallic carbene gold(i)-platinum(ii) and gold(i)-palladium(ii) complexes in cancer cell lines.
Chemical science, 2024, 15, 15291-15298
1572421 CIFC22 H21 N OP 1 21/c 111.8697; 14.3822; 9.9352
90; 95.776; 90		1687.45Gardner, Kristen E.; de Lescure, Louis; Hardy, Melissa A.; Tan, Jin; Sigman, Matthew S.; Paton, Robert S.; Sarpong, Richmond
Modular synthesis of aryl amines from 3-alkynyl-2-pyrones.
Chemical science, 2024, 15, 15632-15638
1572422 CIFC3 H5 N5 O3 ZnC 1 c 19.4696; 9.4104; 7.9944
90; 113.333; 90		654.14Yang, Can; Kang, Yuwei; Wang, Xuefei; Gou, Jie; Xiong, Yi; Zhu, Zece; Chen, Ling; Wu, Qi
N<sub>2</sub>H<sub>4</sub>Zn(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>): exceptionally strong second harmonic generation and ultra-long phosphorescence.
Chemical science, 2024, 15, 15725-15730
1572423 CIFC50 H75 N4 Sc3C 1 2/c 143.206; 9.8953; 25.757
90; 119.166; 90		9616Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.
Dinitrogen Reduction Chemistry with Scandium Provides a Complex with Two Side-on (N=N)2− Ligands Bound to One Metal: (C5Me5)Sc[(µ-η2:η2-N2)Sc(C5Me5)2]2
Chemical Science, 2024
1572424 CIFC24 H38 Cl O ScP -18.4652; 16.6864; 17.8292
63.797; 88.175; 87.697		2257.53Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.
Dinitrogen Reduction Chemistry with Scandium Provides a Complex with Two Side-on (N=N)2− Ligands Bound to One Metal: (C5Me5)Sc[(µ-η2:η2-N2)Sc(C5Me5)2]2
Chemical Science, 2024
1572425 CIFC40 H66 O7 Sc4P -111.501; 11.579; 18.957
82.26; 81.73; 64.75		2252Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.
Dinitrogen Reduction Chemistry with Scandium Provides a Complex with Two Side-on (N=N)2− Ligands Bound to One Metal: (C5Me5)Sc[(µ-η2:η2-N2)Sc(C5Me5)2]2
Chemical Science, 2024
1572426 CIFC40 H67 I N2 O Sc2P 21 21 2113.4651; 14.9197; 20.5495
90; 90; 90		4128.3Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.
Dinitrogen Reduction Chemistry with Scandium Provides a Complex with Two Side-on (N=N)2− Ligands Bound to One Metal: (C5Me5)Sc[(µ-η2:η2-N2)Sc(C5Me5)2]2
Chemical Science, 2024
1572427 CIFC40 H60 N2 Sc2I 2 2 210.9904; 11.3937; 14.908
90; 90; 90		1866.8Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.
Dinitrogen Reduction Chemistry with Scandium Provides a Complex with Two Side-on (N=N)2− Ligands Bound to One Metal: (C5Me5)Sc[(µ-η2:η2-N2)Sc(C5Me5)2]2
Chemical Science, 2024
1572428 CIFC20 H30 Cl ScP 21 21 218.393; 11.1477; 20.9045
90; 90; 90		1955.9Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.
Dinitrogen Reduction Chemistry with Scandium Provides a Complex with Two Side-on (N=N)2− Ligands Bound to One Metal: (C5Me5)Sc[(µ-η2:η2-N2)Sc(C5Me5)2]2
Chemical Science, 2024
1572429 CIFC38 H28 Fe2 N12 O8 Pd2 S4I 1 2/c 17.375; 21.731; 14.3104
90; 90.31; 90		2293.4Paul, Abhik; Kosaka, Wataru; Kumar, Bhart; Mondal, Dibya Jyoti; Miyasaka, Hitoshi; Konar, Sanjit
CO<sub>2</sub>-actuated spin transition tuning in an interdigitated Hofmann-type coordination polymer.
Chemical science, 2024, 15, 15610-15616
1572430 CIFC47 H60 O2 WP -110.52; 14.31; 14.38
82.65; 74.13; 72.38		1982Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.
Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.
Chemical science, 2024, 15, 15873-15879
1572431 CIFC43 H56 O3 WP 1 21/n 110.8411; 16.8936; 20.2912
90; 99.748; 90		3662.58Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.
Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.
Chemical science, 2024, 15, 15873-15879
1572432 CIFC43 H0.25 O3 WP 1 21/c 112.2551; 14.4674; 20.7849
90; 96.471; 90		3661.7Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.
Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.
Chemical science, 2024, 15, 15873-15879
1572433 CIFC46 H46 Co F6 N2 O2 P3P 1 21 110.8969; 13.5727; 14.1536
90; 96.74; 90		2078.86Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.
Chemical science, 2024, 15, 15311-15320
1572434 CIFC42 H38 Co N2 O P2C 1 2 115.4283; 9.7434; 12.9567
90; 120.359; 90		1680.63Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.
Chemical science, 2024, 15, 15311-15320
1572435 CIFC44 H38 Co N2 P2C 1 2/c 137.0504; 9.6501; 23.1185
90; 123.211; 90		6915.6Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.
Chemical science, 2024, 15, 15311-15320
1572436 CIFC42 H38 Co F12 N2 O P4P c a 2115.4595; 14.3076; 18.6069
90; 90; 90		4115.6Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.
Chemical science, 2024, 15, 15311-15320
1572437 CIFC56 H60 Co K N2 O6 P2P -111.1913; 13.9843; 17.7609
76.602; 83.396; 67.358		2494.54Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.
Chemical science, 2024, 15, 15311-15320
1572438 CIFC45.44 H46.56 Co F6 N2 O0.79 P4P -111.4936; 12.2636; 15.7199
87.128; 75.067; 85.597		2133.56Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.
Chemical science, 2024, 15, 15311-15320
1572439 CIFC74 H80 Co K N2 O6 P2P 21 21 2111.2827; 24.3783; 46.956
90; 90; 90		12915.4Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.
Chemical science, 2024, 15, 15311-15320
1572464 CIFC15 H14 O2P 1 21/n 121.0807; 4.92885; 23.4456
90; 102.218; 90		2380.9Cheng, Qianqian; De Bo, Guillaume
Mechanochemical generation of aryne.
Chemical science, 2024, 15, 13181-13184
1572465 CIFC30 H28 O4P 1 21/n 123.5231; 8.2852; 24.9724
90; 105.323; 90		4693.9Cheng, Qianqian; De Bo, Guillaume
Mechanochemical generation of aryne.
Chemical science, 2024, 15, 13181-13184
1572466 CIFC114 H122 Cu4 F12 N4 O7 P10 SC 1 c 114.6516; 27.2272; 29.4109
90; 99.944; 90		11556.4Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.
Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.
Chemical science, 2024, 15, 13668-13675
1572467 CIFC61 H66 Cu2 F12 N4 O3 P6P 1 21/c 111.668; 47.89; 11.5
90; 95.148; 90		6400Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.
Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.
Chemical science, 2024, 15, 13668-13675
1572468 CIFC100 H88 Cu4 F8 O P8 SC 1 2/c 127.1837; 16.4148; 23.8408
90; 110.577; 90		9959.4Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.
Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.
Chemical science, 2024, 15, 13668-13675
1572469 CIFC52 H67 Al Mg N2 OP 1 21/c 113.6415; 19.3339; 18.973
90; 109.138; 90		4727.45Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon
On the nature and limits of alkaline earth-triel bonding.
Chemical science, 2024, 15, 15377-15384
1572470 CIFC52 H67 Be In N2 OP 1 21/c 113.9427; 19.1025; 18.6052
90; 108.451; 90		4700.59Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon
On the nature and limits of alkaline earth-triel bonding.
Chemical science, 2024, 15, 15377-15384
1572471 CIFC52 H67 Ga N2 OC 1 2/c 119.3033; 17.3028; 27.4999
90; 103.204; 90		8942.2Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon
On the nature and limits of alkaline earth-triel bonding.
Chemical science, 2024, 15, 15377-15384
1572472 CIFC63 H98 Al N5 OP 1 21/n 113.87645; 21.59607; 20.08526
90; 102.734; 90		5871.03Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon
On the nature and limits of alkaline earth-triel bonding.
Chemical science, 2024, 15, 15377-15384
1572473 CIFC18 H31 Cl6 In0.95 N3 Sb0.05C 1 2 117.626; 7.583; 9.5983
90; 93.496; 90		1280.5Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei
Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.
Chemical science, 2024, 15, 15480-15488
1572474 CIFC19 H34 Cl6 In0.79 N3 Sb0.21C 1 2 114.807; 9.305; 9.672
90; 92.017; 90		1331.8Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei
Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.
Chemical science, 2024, 15, 15480-15488

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