Crystallography Open Database

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1571873 CIF
Paper
C100.99 H91.97 I12 N24 O2.88 Zn6P 1 2/n 131.5077; 14.9991; 34.4289
90; 102.086; 90
15910Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571874 CIF
Paper
C90.17 H71.8 I12 N24 O2.69 Zn6P 1 2/n 131.5685; 15.041; 34.3133
90; 101.955; 90
15939.3Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571875 CIF
Paper
C36 H24 I6 N12 Zn3C 1 2/c 134.3804; 15.0439; 30.32
90; 101.107; 90
15388.2Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571876 CIF
Paper
C92.12 H75.43 I12 N24 O2.75 Zn6P 1 2/n 131.6878; 14.9984; 34.4068
90; 102.171; 90
15984.8Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571877 CIF
Paper
C88.1 H68.2 I12 N24 O2.57 Zn6P 1 2/n 131.5313; 15.0299; 34.2616
90; 101.863; 90
15890.2Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571878 CIF
Paper
C95.66 H80.05 I12.01 N24 O3.27 Zn6.01P 1 2/n 131.6222; 14.9929; 34.405
90; 102.192; 90
15943.8Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571879 CIF
Paper
C36 H24 I6 N12 Zn3C 1 2/c 135.2833; 14.9084; 31.7352
90; 102.721; 90
16283.5Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571880 CIF
Paper
C36 H24 I6 N12 Zn3C 1 2/c 135.3636; 14.9223; 31.7483
90; 102.783; 90
16338.5Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571881 CIF
Paper
C36 H24 I6 N12 Zn3C 1 2/c 135.3704; 14.9099; 31.7401
90; 102.78; 90
16324.1Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571882 CIF
Paper
C252.44 H188.95 I24 N48 O7.74 Zn12P -118.8343; 29.6438; 32.8648
67.924; 74.74; 73.01
16016.3Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571883 CIF
Paper
C36 H24 I6 N12 Zn3C 1 2/c 135.2498; 14.9012; 31.359
90; 102.417; 90
16086.5Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571884 CIF
Paper
C95.17 H67.86 I12 N24 O1.65 Zn6P -115.0552; 18.943; 30.8258
99.996; 93.338; 110.091
8064.7Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1572205 CIF
Paper
C17 H20 N4 SP 1 21/c 110.708; 16.476; 10.065
90; 110.43; 90
1664Anyfanti, Goulielmina; Husanu, Elena; Andrusenko, Iryna; Marchetti, Danilo; Gemmi, Mauro
The crystal structure of olanzapine form III.
IUCrJ, 2024, 11
1572227 CIF
Paper
H2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572228 CIF
Paper
H2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572229 CIF
Paper
H1.999998 O1.000002P 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572230 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572231 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572232 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572233 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572234 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572235 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572366 CIFC15 H21 Fe O6P b c a15.35; 13.56; 16.5
90; 90; 90
3434Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.
IUCrJ, 2024, 11
1572367 CIFC15 H21 Fe O6P b c a15.35; 13.56; 16.5
90; 90; 90
3434Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.
IUCrJ, 2024, 11
1572368 CIFC15 H21 Fe O6P b c a15.35; 13.56; 16.5
90; 90; 90
3434Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.
IUCrJ, 2024, 11
1572369 CIFC15 H21 Fe O6P b c a15.35; 13.56; 16.5
90; 90; 90
3434Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.
IUCrJ, 2024, 11
1572370 CIFC15 H21 Fe O6P b c a15.35; 13.56; 16.5
90; 90; 90
3434Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.
IUCrJ, 2024, 11
1572371 CIFC15 H21 Fe O6P b c a15.19; 13.39; 16.369
90; 90; 90
3329.4Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.
IUCrJ, 2024, 11
1572372 CIFC15 H21 Fe O6P b c a15.1898; 13.3897; 16.3685
90; 90; 90
3329.14Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.
IUCrJ, 2024, 11
1572373 CIFC15 H21 Fe O6P b c a15.1898; 13.3897; 16.3685
90; 90; 90
3329.14Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong
On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.
IUCrJ, 2024, 11
1572395 CIF
Paper
C25 H24 Au O PP -116.0839; 14.224; 10.1393
109.816; 98.398; 85.874
2158.26Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna
Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.
IUCrJ, 2024, 11
1572396 CIFC25 H24 Au O PP -115.906; 13.677; 9.7733
109.591; 98.2; 86.14
1982.2Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna
Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.
IUCrJ, 2024, 11
1572397 CIFC25 H24 Au O PP 1 21/c 116.13; 6.7304; 18.096
90; 97.93; 90
1946Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna
Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.
IUCrJ, 2024, 11
1572398 CIFC25 H24 Au O PP 1 21/c 116.0966; 6.6284; 17.9473
90; 97.886; 90
1896.77Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna
Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.
IUCrJ, 2024, 11
1572415 CIF
Paper
C19 H16 Cl N O4C 1 2/c 143.7; 5.19; 33.43
90; 100.73; 90
7449Leung, Helen W.; Copley, Royston C. B.; Lampronti, Giulio I.; Day, Sarah J.; Saunders, Lucy K.; Johnstone, Duncan N.; Midgley, Paul A.
From formulation to structure: 3D electron diffraction for the structure solution of a new indomethacin polymorph from an amorphous solid dispersion.
IUCrJ, 2024, 11
1572959 CIFMg8 O16 Si4P 14.72942; 10.1528; 5.94525
90; 90; 90
285.472Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572960 CIFMg8 O16 Si4P 14.756; 10.2035; 5.983
90; 90; 90
290.342Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572961 CIFMg33 O64 Si16P 19.5166; 10.2043; 11.9748
90; 90; 90
1162.88Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572962 CIFMg33 O64 Si16P 19.5167; 10.2047; 11.9746
90; 90; 90
1162.91Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572963 CIFMg32 O65 Si16P 19.517; 10.2042; 11.9739
90; 90; 90
1162.83Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572964 CIFMg32 O64 Si17P 19.5164; 10.2043; 11.975
90; 90; 90
1162.87Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572965 CIFMg32 O63 Si16P 19.5166; 10.2044; 11.9744
90; 90; 90
1162.85Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572966 CIFMg2 O4 SiP b n m4.7542; 10.2048; 5.9839
90; 90; 90
290.31Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572967 CIFMg2 O4 SiP b n m4.7523; 10.2027; 5.9821
90; 90; 90
290.05Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572968 CIFMg2 O4 SiP b n m4.753; 10.2084; 5.9848
90; 90; 90
290.386Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572969 CIFMg2 O4 SiP b n m4.7515; 10.2127; 5.9854
90; 90; 90
290.445Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1573192 CIF
Paper
C20 H12P 1 21/c 14.5384; 20.439; 13.531
90; 97.006; 90
1245.8Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573193 CIFC20 H12P 1 21/c 14.2338; 19.838; 12.9059
90; 95.613; 90
1078.8Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573194 CIFC20 H12P 1 21/c 13.5971; 21.658; 12.7908
90; 95.339; 90
992.2Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573195 CIFC20 H12P -13.4912; 12.687; 21.531
91.51; 90.434; 95.82
948.4Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573196 CIFC20 H12P -13.4134; 12.5674; 21.367
91.675; 90.433; 95.755
911.5Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573197 CIFC20 H12P -13.3501; 12.453; 21.244
91.709; 90.417; 95.599
881.6Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573198 CIFC20 H12P -13.2931; 12.347; 21.133
91.42; 90.439; 95.29
855.3Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573199 CIFC20 H12P -13.1883; 12.1605; 20.825
91.99; 90.297; 95.206
803.6Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573200 CIFC20 H12P -13.1077; 11.995; 20.571
91.56; 89.92; 95.171
763.4Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural transformations and stability of benzo[a]pyrene under high pressure.
IUCrJ, 2025, 12
1573201 CIFC20 H14 O2P 1 21/c 17.1494; 10.9139; 17.7592
90; 102.584; 90
1352.42Zwolenik, A.; Makal, A.
Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.
IUCrJ, 2025, 12
1573202 CIFC20 H14 O2P 1 21/c 17.17156; 10.9455; 17.7694
90; 102.742; 90
1360.48Zwolenik, A.; Makal, A.
Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.
IUCrJ, 2025, 12
1573203 CIFC20 H14 O2P 1 21/c 17.1945; 10.9948; 17.7698
90; 102.926; 90
1370.01Zwolenik, A.; Makal, A.
Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.
IUCrJ, 2025, 12
1573204 CIFC20 H14 O2P 1 21/c 17.2211; 11.0779; 17.7769
90; 103.161; 90
1384.7Zwolenik, A.; Makal, A.
Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.
IUCrJ, 2025, 12
1573205 CIFC20 H14 O2P 1 21/c 17.2277; 11.248; 17.7562
90; 103.578; 90
1403.2Zwolenik, A.; Makal, A.
Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.
IUCrJ, 2025, 12
1573206 CIFC20 H14 O2P 1 21/c 17.2522; 11.4389; 17.705
90; 104.385; 90
1422.71Zwolenik, A.; Makal, A.
Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.
IUCrJ, 2025, 12

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