Crystallography Open Database

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1571215 CIFC68 H20 Cl0 F20 S10P -112.453; 21.757; 23.66
66.193; 79.426; 86.247
5765Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.
Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.
Chemical science, 2024, 15, 6022-6027
1571216 CIFC100 H74 Cl2 F6 O5 S10P 1 21/c 123.966; 12.143; 32.204
90; 99.057; 90
9255Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.
Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.
Chemical science, 2024, 15, 6022-6027
1571218 CIFC7 H16 B10 Cu N O4P -4 m 211.1145; 11.1145; 9.6132
90; 90; 90
1187.5Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin
A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.
Chemical science, 2024, 15, 5653-5659
1571219 CIFC8.1 H18.2 B10 Cu N O4P -4 m 211.1145; 11.1145; 9.5867
90; 90; 90
1184.27Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin
A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.
Chemical science, 2024, 15, 5653-5659
1571220 CIFC8 H17 B10 Cu N O4P -4 m 211.0892; 11.0892; 9.581
90; 90; 90
1178.2Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin
A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.
Chemical science, 2024, 15, 5653-5659
1571221 CIFC7 H16 B10 Cu N O4P -4 m 211.1131; 11.1131; 9.6111
90; 90; 90
1187Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin
A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.
Chemical science, 2024, 15, 5653-5659
1571222 CIFC105.5 H103 B2 Cl3 Co2 N8 O4P 1 21 114.769; 15.187; 21.191
90; 106.73; 90
4551.9M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571223 CIFC50 H46 B Co N4 O2P n a 2130.09; 10.04; 27.93
90; 90; 90
8438M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571224 CIFC50 H46 B Co N4 O2P n a 2129.872; 9.931; 27.754
90; 90; 90
8233M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571225 CIFC50 H46 B Co N4 O2P n a 2129.62; 9.84; 27.53
90; 90; 90
8024M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571226 CIFC54 H54 B Co N4 O2P 1 21/n 120.212; 9.634; 22.929
90; 95.57; 90
4443.7M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571227 CIFC50 H46 B Co N4 O2P n a 2130; 9.98; 27.84
90; 90; 90
8335M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571228 CIFC54 H54 B Co N4 O2P 1 21/n 120.258; 9.648; 22.962
90; 95.6; 90
4466.5M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571229 CIFC50 H46 B Co N4 O2P n a 2129.67; 9.86; 27.58
90; 90; 90
8068M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571230 CIFC50 H46 B Co N4 O2P n a 2129.76; 9.89; 27.66
90; 90; 90
8141M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571231 CIFC54 H54 B Co N4 O2P 1 21/n 120.464; 9.708; 23.147
90; 95.64; 90
4576.2M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571232 CIFC54 H54 B Co N4 O2P 1 21/n 120.716; 9.795; 23.515
90; 95.47; 90
4749.8M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571233 CIFC54 H54 B Co N4 O2P 1 21/n 120.675; 9.779; 23.468
90; 95.49; 90
4723M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571234 CIFC54 H54 B Co N4 O2P 1 21/n 120.525; 9.727; 23.244
90; 95.61; 90
4618.4M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571235 CIFC54 H54 B Co N4 O2P 1 21/n 120.581; 9.747; 23.342
90; 95.56; 90
4660.4M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571236 CIFC54 H54 B Co N4 O2P 1 21/n 120.402; 9.692; 23.077
90; 95.63; 90
4541.1M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571237 CIFC54 H54 B Co N4 O2P 1 21/n 120.325; 9.671; 23.011
90; 95.61; 90
4501.4M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571238 CIFC54 H54 B Co N4 O2P 1 21/n 120.625; 9.765; 23.419
90; 95.51; 90
4694.9M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.
Chemical science, 2024, 15, 5694-5710
1571239 CIFC69 H116 N37 O42P 1 21 113.1125; 21.0944; 18.8571
90; 107.233; 90
4981.73Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.
Peptide recognition by a synthetic receptor at subnanomolar concentrations
Chemical Science, 2024, 15, 5133-5142
1571240 CIFC276 H381.4 N148 O132.2C 1 2 134.6961; 14.6388; 18.863
90; 90.751; 90
9579.87Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.
Peptide recognition by a synthetic receptor at subnanomolar concentrations
Chemical Science, 2024, 15, 5133-5142
1571245 CIFC32 H23 Br Cl3 N2 O2 PP -19.3848; 11.5366; 14.8861
79.747; 83.521; 72.5
1509.53Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei
Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.
Chemical science, 2024, 15, 6012-6021
1571246 CIFC32 H26 Cl2 N3 O3 PP -19.3078; 12.9452; 13.3909
83.589; 79.897; 69.502
1485.68Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei
Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.
Chemical science, 2024, 15, 6012-6021
1571247 CIFC17.36 H22.73 N2 OP 1 21/c 18.1586; 21.503; 8.6653
90; 95.275; 90
1513.75Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao
Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.
Chemical science, 2024, 15, 5730-5737
1571248 CIFC18 H22 N2 O3P -18.9869; 9.3453; 11.174
83.313; 81.185; 61.479
813.81Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao
Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.
Chemical science, 2024, 15, 5730-5737
1571249 CIFC29 H27 N4 O PP -110.539; 10.9798; 11.7826
92.457; 108.816; 103.145
1246.7Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
Chemical science, 2024, 15, 5496-5506
1571250 CIFC25 H17 N4 PP 1 21/c 16.0233; 7.6255; 21.2045
90; 93.2936; 90
972.33Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
Chemical science, 2024, 15, 5496-5506
1571251 CIFC36 H33 N4 PP -16.0439; 10.8817; 11.4035
102.992; 95.821; 93.214
724.61Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
Chemical science, 2024, 15, 5496-5506
1571252 CIFC103.44 H78.88 Cl6.88 Li4 N16 O4 P4I -422.4512; 22.4512; 10.3077
90; 90; 90
5195.7Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
Chemical science, 2024, 15, 5496-5506
1571253 CIFC14 H12 N2C 1 2/c 18.4144; 9.2664; 14.4244
90; 103.942; 90
1091.55Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
Chemical science, 2024, 15, 5496-5506
1571254 CIFC59 H52 Cl2 Cu4 I4 N8 P2P 1 21/n 119.1051; 17.5837; 19.9459
90; 99.885; 90
6601.1Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
Chemical science, 2024, 15, 5496-5506
1571257 CIFC43 H43 N3 P2P 1 21/n 112.4142; 15.1667; 18.9994
90; 92.258; 90
3574.5Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh
Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.
Chemical science, 2024, 15, 6036-6043
1571258 CIFC53 H48 Bi N3 O3 P2 WP -110.9439; 21.0052; 21.9721
92.01; 101.049; 103.267
4808.4Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh
Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.
Chemical science, 2024, 15, 6036-6043
1571259 CIFC43 H40 Bi N3 P2P -112.5454; 14.8524; 20.97
72.803; 83.022; 86.907
3704.3Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh
Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.
Chemical science, 2024, 15, 6036-6043
1571261 CIFC33 H31 N3 OP 21 21 217.8263; 11.618; 28.9031
90; 90; 90
2628Dai, Lei; Zhou, Xueting; Guo, Jiami; Huang, Qingqin; Lu, Yixin
Copper-catalyzed atroposelective synthesis of C-O axially chiral compounds enabled by chiral 1,8-naphthyridine based ligands.
Chemical science, 2024, 15, 5993-6001
1571271 CIFC17 H8 F6 O4 ZnP 62 2 221.2076; 21.2076; 7.7012
90; 90; 120
2999.66Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.
Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.
Chemical science, 2024, 15, 5964-5972
1571272 CIFC17 H8 F6 O4 ZnP 62 2 221.2035; 21.2035; 7.6959
90; 90; 120
2996.44Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.
Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.
Chemical science, 2024, 15, 5964-5972
1571273 CIFC17 H8 F6 O4 ZnP 62 2 221.2057; 21.2057; 7.6878
90; 90; 120
2993.9Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.
Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.
Chemical science, 2024, 15, 5964-5972
1571274 CIFC17 H8 F6 O4 ZnP 62 2 221.2065; 21.2065; 7.6905
90; 90; 120
2995.18Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.
Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.
Chemical science, 2024, 15, 5964-5972
1571275 CIFC17 H8 F6 O4 ZnP 62 2 221.2008; 21.2008; 7.6911
90; 90; 120
2993.81Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.
Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.
Chemical science, 2024, 15, 5964-5972
1571276 CIFC16 H13 F3 N2 O6 S3P -18.8939; 10.6953; 11.302
109.349; 98.738; 98.497
979.7Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel
Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.
Chemical science, 2024, 15, 5938-5943
1571277 CIFC31 H25 F6 O3.5 S2P 1 21/n 111.2326; 18.0655; 14.1136
90; 101.844; 90
2803Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel
Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.
Chemical science, 2024, 15, 5938-5943
1571278 CIFC25 H22 F4 N2 O5 S2P -110.6503; 11.1577; 12.0098
109.986; 98.765; 97.218
1301.1Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel
Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.
Chemical science, 2024, 15, 5938-5943
1571279 CIFC48 H39 F6 N5 O9 S4P -110.5731; 13.509; 18.976
103.841; 96.946; 107.996
2446.6Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel
Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.
Chemical science, 2024, 15, 5938-5943
1571280 CIFC23 H25 B F4 O2 SP 1 21/c 110.7059; 16.869; 12.6192
90; 106.941; 90
2180.1Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel
Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.
Chemical science, 2024, 15, 5938-5943
1571281 CIFC30 H23 B F7 N SP -19.7055; 11.9141; 12.9664
79.46; 68.373; 70.766
1312.75Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel
Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.
Chemical science, 2024, 15, 5938-5943

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