Crystallography Open Database

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1572875 CIFC6 H18 Cl4 Cu N2 O3 Si2F m m m10.2369; 20.4352; 33.981
90; 90; 90
7108.6Dalton, Connor W.; Gannon, Paige M.; Kaminsky, Werner; Reed, Douglas A.
Leveraging ordered voids in microporous perovskites for intercalation and post-synthetic modification.
Chemical science, 2024, 16, 1147-1154
1573035 CIFC119 H167 F12 N29 O12 P2P 1 21/n 116.0516; 25.7006; 27.3571
90; 91.647; 90
11281.1Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert
Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.
Chemical science, 2024, 16, 83-89
1573036 CIFC58 H91.5 F12 N26 O17.75 P2A m a 217.47878; 27.72924; 15.22975
90; 90; 90
7381.45Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert
Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.
Chemical science, 2024, 16, 83-89
1573037 CIFC67 H99 F12 N29 O14 P2P a -336.765; 36.765; 36.765
90; 90; 90
49694Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert
Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.
Chemical science, 2024, 16, 83-89
1573038 CIFC67 H98 F12 N29 O14.5 P2P a -336.79372; 36.79372; 36.79372
90; 90; 90
49810.5Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert
Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.
Chemical science, 2024, 16, 83-89
1573045 CIFC66 H44 B Cl4 F20 N O P2P -113.37; 15.247; 16.3
87.59; 75.11; 79.81
3161You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573046 CIFC63 H48 B Cl2 F20 N O P2C 1 c 110.1018; 31.87; 18.321
90; 92.637; 90
5892.1You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573047 CIFC65 H42 B F20 N O P2P -113.124; 16.183; 17.493
110.67; 95.58; 113.696
3057You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573048 CIFC32.5 H34 Cl2 N O P2P -112.944; 13.582; 19.223
103.948; 103.841; 97.75
3117.5You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573049 CIFC71 H48 B Cl2 F20 N O P2P -114.195; 15.574; 16.591
82.59; 77.118; 64.527
3226You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573050 CIFC71 H58 B Cl4 F20 N O P2P -113.127; 16.617; 17.814
114.495; 98.862; 91.899
3473.5You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573051 CIFC48 H34 Al F36 N O5 P2P b c a20.836; 18.713; 29.74
90; 90; 90
11596You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573052 CIFC63 H40 B F20 N O2 P2P 1 21/c 111.884; 16.729; 31.882
90; 96.442; 90
6298You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573053 CIFC64 H42 B F20 N O2 P2C 1 2/c 150.046; 10.705; 27.527
90; 123.266; 90
12331You, Lijun; Roth, Daniel; Greb, Lutz
Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.
Chemical science, 2025, 16, 1716-1721
1573142 CIFC36 H22 B Cl Co F10 Fe N15 O4P 1 21/c 114.768; 22.615; 14.318
90; 109.286; 90
4514Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573143 CIFC38 H32 B Cl Co F10 Fe N15 O7P 1 21/c 114.938; 20.83; 15.45
90; 103.72; 90
4670Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573144 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.555; 22.133; 14.59
90; 107.506; 90
4482.4Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573145 CIFC38 H29 B Cl Co F10 Fe N15 O7P 1 21/c 114.867; 20.702; 15.437
90; 103.782; 90
4614Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573146 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.5844; 21.947; 14.54
90; 107.574; 90
4436.8Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573147 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.5597; 22.1504; 14.5863
90; 107.475; 90
4487Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573148 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.586; 21.94; 14.537
90; 107.634; 90
4433.5Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573149 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.608; 21.69; 14.447
90; 107.574; 90
4363.9Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573150 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.5088; 22.4672; 14.6367
90; 107.396; 90
4552.9Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573151 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.5659; 21.8912; 14.5075
90; 107.593; 90
4409.6Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573152 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.6328; 21.6526; 14.4816
90; 107.596; 90
4373.6Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573153 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.618; 21.998; 14.513
90; 107.492; 90
4451.1Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573154 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.5189; 22.4945; 14.6481
90; 107.387; 90
4565.4Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573155 CIFC36 H24 B Cl Co F10 Fe N15 O5P 1 21/c 114.5568; 22.4909; 14.6069
90; 107.337; 90
4565Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573156 CIFC38 H29 B Cl Co F10 Fe N15 O7P 1 21/c 114.852; 20.7; 15.425
90; 103.695; 90
4607Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573157 CIFC38 H29 B Cl Co F10 Fe N15 O7P 1 21/c 114.735; 20.586; 15.382
90; 103.396; 90
4539Yadav, Jyoti; Konar, Sanjit
Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Chemical science, 2024, 16, 130-138
1573160 CIFC84 H100 Ga2 N4I 41 c d17.2516; 17.2516; 47.4743
90; 90; 90
14129.2Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
Chemical science, 2025, 16, 2222-2230
1573161 CIFC80 H78 F16 Ga2 N4P 1 21/c 119.4377; 19.6182; 19.7964
90; 100.679; 90
7418.3Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
Chemical science, 2025, 16, 2222-2230
1573162 CIFC82.88 H87 Fe1.97 Ga2 I0.06 N4 O7.88P -110.8571; 14.302; 25.6182
98.115; 96.616; 102.807
3795.66Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
Chemical science, 2025, 16, 2222-2230
1573163 CIFC78 H90 Cl4 Ga2 N4P 1 21/n 110.3023; 18.4534; 20.0384
90; 103.039; 90
3711.3Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
Chemical science, 2025, 16, 2222-2230
1573164 CIFC73 H86 Ga2 N4P -112.7988; 14.6243; 18.1282
80.487; 79.632; 85.811
3288.5Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
Chemical science, 2025, 16, 2222-2230
1573165 CIFC66 H78 Ga2 I4 N4P -110.5694; 12.1801; 13.6704
101.963; 98.911; 107.53
1596.52Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
Chemical science, 2025, 16, 2222-2230
1573166 CIFC88 H88 F12 Ga2 N6C 1 2/c 121.1589; 19.2641; 19.4975
90; 91.377; 90
7945Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
Chemical science, 2025, 16, 2222-2230
1573176 CIFC31 H51 N O5C 1 2 113.5566; 6.1185; 34.8632
90; 91.681; 90
2890.52Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin
Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase.
Chemical science, 2024, 16, 310-317
1573177 CIFC30 H51 N O5P 21 21 217.2412; 12.2368; 34.0916
90; 90; 90
3020.83Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin
Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase.
Chemical science, 2024, 16, 310-317
1573178 CIFC28 H28 Al4P -19.775; 16.6702; 25.7105
107.247; 93.692; 98.988
3924.7Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573179 CIFC12 H8 Al4 Br8P -18.5249; 10.084; 15.022
80.5; 80.878; 65.121
1149.72Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573180 CIFC23 H29 Al2 K N2 O1.5P -110.9074; 12.1287; 20.097
90.03; 91.767; 109.036
2511.9Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573181 CIFC30 H30 Al2 N2P -19.0697; 9.2595; 9.8024
112.117; 105.052; 102.588
689.09Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573182 CIFC24 H16 Al4 Br4P 1 2/n 110.1518; 9.9203; 12.7992
90; 100.072; 90
1269.13Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573183 CIFC13.9 H13.69 Al4 Br6.1P -18.1909; 8.1869; 9.8777
109.179; 102.057; 104.104
575.78Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573184 CIFC22 H24.67 Al2 N2.67 O0.67P 1 21/n 19.87648; 14.3894; 15.3682
90; 104.96; 90
2110.05Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573185 CIFC20 H28 Al2 Br2 O2C 1 2/c 119.694; 7.0404; 19.08
90; 120.073; 90
2289.4Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573186 CIFC20 H24 Al2 Br2 O2P 1 21/n 19.5845; 13.7779; 16.7652
90; 106.151; 90
2126.54Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573187 CIFC12 H8 Al4 Br8P -18.071; 8.2992; 9.8658
108.901; 101.51; 103.983
578.24Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
1573188 CIFC28 H24 Al2 Br2 N2P -19.0374; 9.3213; 9.7274
110.307; 104.486; 104.444
691.18Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155

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