Crystallography Open Database

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Searching year of publication is 2023

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1568588 CIFCl2 Cu H4 O2P m n a8.0405; 3.7238; 7.3585
90; 90; 90
220.32Boeré, René T.
Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors
Crystals, 2023, 13, 293
1568589 CIFCl2 H12 Ni O6I 1 2/m 16.5628; 7.033; 8.7326
90; 96.723; 90
400.29Boeré, René T.
Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors
Crystals, 2023, 13, 293
1568590 CIFCl2 H12 Ni O6I 1 2/m 16.5579; 7.0244; 8.7291
90; 96.702; 90
399.36Boeré, René T.
Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors
Crystals, 2023, 13, 293
1568591 CIFC10 H18 Ca O5P -15.8633; 6.8363; 16.0587
79.338; 81.318; 82.834
622.21Lopresti, Mattia; Milanesio, Marco; Palin, Luca
The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data
Crystals, 2023, 13, 261
1568592 CIFC6 H5 N O2C 1 2/c 121.211; 3.7625; 13.9555
90; 107.653; 90
1061.29Baptista, Diogo S.; Piedade, M. Fátima M.; Esteves, Catarina V.
Solubility and Crystallization Studies of Picolinic Acid
Crystals, 2023, 13, 392
1568593 CIFC96 H110 Cl42 Mo18 O97P 117.8167; 17.9076; 19.7519
116.936; 116.807; 90.012
4846Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.
Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs
Inorganics, 2023, 11, 77
1568594 CIFC144 H168 Cl14 Mo6 O140P 4 21 223.806; 23.806; 22.831
90; 90; 90
12938.9Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.
Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs
Inorganics, 2023, 11, 77
1568595 CIFC192 H224 Cl42 O189.6 W18I 4 2 235.7254; 35.7254; 34.3472
90; 90; 90
43837.5Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.
Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs
Inorganics, 2023, 11, 77
1568596 CIFC27 H36 Br2 Mo5 N18 O2 Se5C 2 2 2115.632; 25.5634; 12.2766
90; 90; 90
4905.8Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.
Unusual Square Pyramidal Chalcogenide Mo<sub>5</sub> Cluster with Bridging Pyrazolate-Ligands.
International journal of molecular sciences, 2023, 24, 3440
1568597 CIFC39 H48 Br Mo5 N26 Se5P 4/n :215.6443; 15.6443; 11.3058
90; 90; 90
2767.03Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.
Unusual Square Pyramidal Chalcogenide Mo<sub>5</sub> Cluster with Bridging Pyrazolate-Ligands.
International journal of molecular sciences, 2023, 24, 3440
1568598 CIFFe16 O128 P12 S4P 113.3722; 13.3488; 21.585
92.345; 90.153; 120.34
3321.3Mauro, Daniela; Biagioni, Cristian
New Crystal-Structure Data on Bohuslavite, Fe3+4(PO4)3(SO4)(OH)(H2O)10·nH2O
Minerals, 2023, 13, 286
1568599 CIFC12 H9 N5I 1 2/a 120.845; 4.6353; 22.7163
90; 107.329; 90
2095.29Ershov, Ivan S.; Esikov, Kirill A.; Nesterova, Olga M.; Skryl’nikova, Mariya A.; Khramchikhin, Andrey V.; Shmaneva, Nadezda T.; Chernov, Ivan S.; Chernova, Ekaterina N.; Puzyk, Aleksandra M.; Sivtsov, Eugene V.; Pavlyukova, Yuliya N.; Trifonov, Rostislav E.; Ostrovskii, Vladimir A.
3-(5-Phenyl-2H-tetrazol-2-yl)pyridine
Molbank, 2023, 2023, M1598
1568600 CIFC22 H16 Mn N2 O4 S2P -110.5007; 10.5738; 11.029
102.277; 91.709; 117.108
1053.76Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies
Molecules, 2023, 28, 2139
1568601 CIFC62 H40 Mn3 N4 O12 S6P 1 21/c 110.88; 25.477; 12.919
90; 109.29; 90
3380Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies
Molecules, 2023, 28, 2139
1568602 CIFC34.5 H26.5 Mn2 N3.5 O9.5 S4P 1 2/c 116.206; 11.501; 22.561
90; 107.876; 90
4002Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies
Molecules, 2023, 28, 2139
1568603 CIFC38 H34 Mn2 N4 O10 S4P 1 21/n 114.9591; 17.085; 17.8936
90; 104.678; 90
4423.9Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies
Molecules, 2023, 28, 2139
1568604 CIFC69 H71 Mn3 N9 O17 S6P 1 21/n 116.4304; 25.1354; 18.4058
90; 94.705; 90
7575.7Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies
Molecules, 2023, 28, 2139
1568605 CIFC62 H56 Mn3 N8 O16 S6P 1 21/c 110.9298; 25.5452; 13.0284
90; 111.044; 90
3395Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies
Molecules, 2023, 28, 2139
1568606 CIFC13 H8 Br N SP 1 21/n 13.9619; 24.465; 12.6409
90; 96.409; 90
1217.6Ye, Dongnai; Liu, Lei; Zhang, Yujie; Qiu, Jiabin; Tan, Zhirong; Xing, Yuqin; Liu, Shiyong
Tunable Donor–Acceptor Linear Conjugated Polymers Involving Cyanostyrylthiophene Linkages for Visible-Light-Driven Hydrogen Production
Molecules, 2023, 28, 2203
1568607 CIFC20 H21 O7P 18.78; 8.92; 11.62
84.56; 81.25; 76.39
872.6Mathew, Shintu; Zhang, Kenneth; Zhou, Xian; Münch, Gerald; Bodkin, Francis; Li, Feng; Raju, Ritesh
Myrtinols A–F: New Anti-Inflammatory Peltogynoid Flavonoid Derivatives from the Leaves of Australian Indigenous Plant Backhousia myrtifolia
Molecules, 2023, 28, 2160
1568608 CIFC44 H32 Fe N8 O4P 1 21/c 19.8772; 9.1364; 20.2948
90; 103.341; 90
1782.02Li, Qing; Xu, Bo-Wei; Zou, Yi-Ming; Niu, Ru-Jie; Chen, Jin-Xiang; Zhang, Wen-Hua; Young, David James.
Nanoscale Two-Dimensional FeII- and CoII-Based Metal–Organic Frameworks of Porphyrin Ligand for the Photodynamic Therapy of Breast Cancer
Molecules, 2023, 28, 2125
1568609 CIFC23 H49 B10 N O2P 1 21/n 110.2162; 15.0449; 19.1173
90; 90.438; 90
2938.28Klyukin, Ilya N.; Kolbunova, Anastasia V.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.
Synthesis of Disubstituted Carboxonium Derivatives of <i>Closo</i>-Decaborate Anion [2,6-B<sub>10</sub>H<sub>8</sub>O<sub>2</sub>CC<sub>6</sub>H<sub>5</sub>]<sup>-</sup>: Theoretical and Experimental Study.
Molecules (Basel, Switzerland), 2023, 28, 1757
1568610 CIFC112 H70 N8 O59 Y8P -4 21 m33.7993; 33.7993; 7.9398
90; 90; 90
9070.4Li, Juan; Wang, Airong; Qiu, Shiming; Wang, Xiaoli; Li, Jiaming
A 12-Connected [Y<sub>4</sub>((<i>μ</i><sub>3</sub>-OH)<sub>4</sub>]<sup>8+</sup> Cluster-Based Luminescent Metal-Organic Framework for Selective Turn-on Detection of F<sup>-</sup> in H<sub>2</sub>O.
Molecules (Basel, Switzerland), 2023, 28, 1893
1568611 CIFC18 H8 Br Cl F2 O3P -18.3118; 8.452; 12.0667
80.772; 79.03; 72.149
787.41Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.
Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.
Chemical science, 2023, 14, 3676-3681
1568612 CIFC9.714 H9.143 Br1.143 O1.143P 21 21 2110.6752; 11.971; 12.2865
90; 90; 90
1570.13Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.
Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.
Chemical science, 2023, 14, 3676-3681
1568613 CIFCl6 Cs2 Mo NaF m -3 m10.4129; 10.4129; 10.4129
90; 90; 90
1129.06Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap
Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.
Chemical science, 2023, 14, 3982-3989
1568614 CIFC2 H12 Ag Cl6 Mo N2P -3 m 17.3359; 7.3359; 6.8017
90; 90; 120
316.997Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap
Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.
Chemical science, 2023, 14, 3982-3989
1568615 CIFC8 H28 Ag Cl8 Mo N4P -17.636; 7.671; 9.789
80.191; 88.082; 89.402
564.7Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap
Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.
Chemical science, 2023, 14, 3982-3989
1568616 CIFC8 H28 Ag Cl8 Mo N4P -17.6668; 7.7072; 9.449
102.229; 91.183; 90.127
545.54Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap
Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.
Chemical science, 2023, 14, 3982-3989
1568617 CIFC4 H24 Cl7 Mo N4P 1 2/n 116.0647; 7.3477; 16.1264
90; 103.599; 90
1850.17Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap
Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.
Chemical science, 2023, 14, 3982-3989
1568618 CIFC18 H22 Au B Cl F N6 O2 WP 1 21/c 111.6629; 10.2338; 20.6113
90; 105.744; 90
2367.8Manzano, Richard A.; Hill, Anthony F.
Fluorocarbyne complexes <i>via</i> electrophilic fluorination of carbido ligands.
Chemical science, 2023, 14, 3776-3781
1568619 CIFC18 H22 B F Mo N6 O2P 1 21/c 17.9256; 13.8329; 19.194
90; 96.493; 90
2090.82Manzano, Richard A.; Hill, Anthony F.
Fluorocarbyne complexes <i>via</i> electrophilic fluorination of carbido ligands.
Chemical science, 2023, 14, 3776-3781
1568620 CIFC30 H17 B Br2P 110.2031; 11.8054; 16.122
74.925; 89.781; 89.984
1875.08Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing
Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.
Chemical science, 2023, 14, 4158-4165
1568621 CIFC37 H22 B Br2 Cl3P -19.6748; 10.1293; 17.5132
97.089; 94.219; 117.91
1488.08Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing
Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.
Chemical science, 2023, 14, 4158-4165
1568622 CIFC68 H86 B2 N6P -19.3498; 11.4321; 15.5813
69.242; 84.549; 77.162
1518.2Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting
Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.
Chemical science, 2023, 14, 3548-3553
1568623 CIFC62 H80 B2 F6 N6 SbP -19.7065; 10.4206; 16.6116
73.769; 73.502; 79.487
1537.1Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting
Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.
Chemical science, 2023, 14, 3548-3553
1568624 CIFC66 H88 B2 N6C 1 2/c 132.041; 12.9784; 16.7286
90; 117.642; 90
6162.5Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting
Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.
Chemical science, 2023, 14, 3548-3553
1568625 CIFC108 H96 Al2 B2 F72 N6 O8P 1 21/c 124.71; 21.2756; 24.7191
90; 98.219; 90
12861.9Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting
Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.
Chemical science, 2023, 14, 3548-3553
1568626 CIFC27 H20 Co O5 P2F d d 241.7016; 15.1215; 19.8592
90; 90; 90
12523Huang, Weiheng; Jackstell, Ralf; Spannenberg, Anke; Beller, Matthias
An improved cobalt-catalysed alkoxycarbonylation of olefins using secondary phosphine oxide promotors
Catalysis Science & Technology, 2023, 13, 2475-2479
1568627 CIFC58 H46 N2 O6 S2P 1 21/c 113.3238; 20.1104; 16.9292
90; 96.463; 90
4507.3Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken
Stereoselective synthesis of [2.2]triphenylenophanes <i>via</i> intramolecular double [2 + 2 + 2] cycloadditions.
Chemical science, 2023, 14, 3963-3972
1568628 CIFC70 H52 O2P 1 21/c 112.9227; 24.0368; 17.132
90; 97.506; 90
5275.9Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken
Stereoselective synthesis of [2.2]triphenylenophanes <i>via</i> intramolecular double [2 + 2 + 2] cycloadditions.
Chemical science, 2023, 14, 3963-3972
1568629 CIFC26 H32 N4 PdP 21 21 218.9688; 15.8749; 16.3925
90; 90; 90
2333.94Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.
C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.
Chemical science, 2023, 14, 3800-3808
1568630 CIFC30 H38 Cl2 N6 O8 PdP m n 2117.1932; 11.4548; 8.6473
90; 90; 90
1703.04Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.
C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.
Chemical science, 2023, 14, 3800-3808
1568631 CIFC34 H51 Cl3 Li N4 O11 PdP 1 21/c 114.0733; 18.7386; 15.869
90; 109.564; 90
3943.3Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.
C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.
Chemical science, 2023, 14, 3800-3808
1568632 CIFC28 H35 Cl N5 O4 PdP 21 21 2111.34; 12.2808; 20.326
90; 90; 90
2830.7Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.
C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.
Chemical science, 2023, 14, 3800-3808
1568633 CIFC26 H33 Cl N4 PdP 1 21/c 18.7777; 30.6361; 9.7205
90; 113.69; 90
2393.71Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.
C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.
Chemical science, 2023, 14, 3800-3808
1568634 CIFC16 H27 Br2 Fe P5P 1 21/c 113.3548; 14.7155; 11.9066
90; 105.491; 90
2254.91Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
Chemical science, 2023, 14, 3834-3838
1568635 CIFC15 H25 Fe P5P 21 21 219.1712; 14.2201; 14.903
90; 90; 90
1943.58Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
Chemical science, 2023, 14, 3834-3838
1568636 CIFC14 H23 Fe P5P -19.4353; 13.7981; 15.3668
69.087; 77.735; 89.91
1820.09Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
Chemical science, 2023, 14, 3834-3838
1568637 CIFC13 H21 Fe P5P 21 21 218.4755; 8.8421; 22.8473
90; 90; 90
1712.2Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
Chemical science, 2023, 14, 3834-3838

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