Crystallography Open Database
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Result: there are 192 entries in the selection
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 3000434 | CIF | Cr0.5 Fe0.5 Gd O3 | P b n m | 5.3318; 5.56744; 7.63787 90; 90; 90 | 226.726 | Young Jai Choi 'Giant and highly anisotropic magnetocaloric effects in single crystals of disordered-perovskite R Cr 0.5 Fe 0.5 O 3 (R= Gd, Er)' Personal communication to COD, 2023 |
| 3000435 | CIF | Cr0.5 Er Fe0.5 O3 | P b n m | 5.2411; 5.5451; 7.5496 90; 90; 90 | 219.41 | Young Jai Choi ' Giant and highly anisotropic magnetocaloric effects in single crystals of disordered-perovskite RCr 0.5 Fe 0.5 O 3 (R= Gd, Er)' Personal communication to COD, 2023 |
| 3500000 | CIF | H10 In N3 O14 | P 1 21/c 1 | 10.3396; 9.1777; 11.246 90; 91.063; 90 | 1066.99 | Daniel C. M. Whynot; Yaoting Zhang; Arthur D. Hendsbee; Cory C. Pye; Jason D. Masuda Personal communication to COD, 2011 |
| 3500001 | CIF HKL | C18 H38 Fe N8 O18 | P -1 | 8.172; 9.1441; 11.945 105.26; 95.1; 115.58 | 755.39 | Miguel Quirós; Juan M. Salas Personal communication to COD, 2011 |
| 3500002 | CIF | C10 H18 Mg N8 O8 | P 1 21/c 1 | 11.8698; 5.6782; 12.9832 90; 107.681; 90 | 833.7 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Personal communication to COD, 2011 |
| 3500003 | CIF HKL | C5 H5 N3 O2 | P 1 21/c 1 | 3.681; 14.1272; 10.8138 90; 98.267; 90 | 556.5 | Martin Lutz Personal communication to COD, 2011 |
| 3500004 | CIF | C12 H12 Co N10 O2 S2 | P 1 21/c 1 | 9.023; 12.463; 14.771 90; 147.229; 90 | 899.1 | Abderrahman Rahmani; M. Angustias Romero; Miguel Quirós; Juan M. Salas; René Faure Personal communication to COD, 2011 |
| 3500005 | CIF HKL | C22 H25 N14 O9.75 Pd Pt | C 1 2/m 1 | 26.13; 16.618; 9.5517 90; 102.083; 90 | 4055.7 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Personal communication to COD, 2011 |
| 3500006 | CIF | C30 H54 N14 Ni O3 S | P n a 21 | 15.37; 18.304; 13.372 90; 90; 90 | 3762 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Personal communication to COD, 2011 |
| 3500007 | CIF | C30 H54 N14 Ni O3 S | P n a 21 | 15.349; 18.253; 13.274 90; 90; 90 | 3718.9 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Personal communication to COD, 2011 |
| 3500008 | CIF HKL | C10 H18 Co N8 O8 | P 1 21 1 | 7.342; 10.922; 11.245 90; 102.17; 90 | 881.5 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Personal communication to COD, 2011 |
| 3500009 | CIF | C6 F10 | P 1 21/n 1 | 11.915; 7.247; 9.663 90; 113.34; 90 | 766.1 | Armel Le Bail Data reduction to |Fhkl| Personal communication to COD, 2012 |
| 3500010 | CIF HKL | C12 H25 Cl4 N8 O8.5 Ru | P 1 21/n 1 | 9.6031; 26.6153; 9.8157 90; 92.812; 90 | 2505.8 | Carlos Sánchez; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez Ru(IV) complex with 5-methyl-7-oxo(4H)-1,2,4-triazolo-[1,5-a]-pyrimidine Personal communication to COD, 2012 |
| 3500011 | CIF | C30 H40 Cd Cl2 F4 N12 O6 S2 | P 1 21/c 1 | 12.017; 17.129; 11.657 90; 118.283; 90 | 2113 | Alfonso Fernández-Botello; Miguel Quirós; Virtudes Moreno A Cd(II) polymeric compound with fluconazol Personal communication to COD, 2012 |
| 3500012 | CIF | C30 H44 Cl2 Cu F4 N12 O8 S2 | P 1 21/c 1 | 15.258; 9.19; 19.901 90; 128.6; 90 | 2180.9 | Alfonso Fernández-Botello; Miguel Quirós; Virtudes Moreno A Cu(II) polymeric compound with fluconazol Personal communication to COD, 2012 |
| 3500013 | CIF HKL | C22 H24 Cl F6 N4 O2 P Ru S | P 1 21/c 1 | 13.542; 17.9856; 15.072 90; 121.326; 90 | 3135.8 | Miguel Quirós [Ru(bpy)2Cl(DMSO)](PF6).H2O Personal communication to COD, 2012 |
| 3500014 | CIF | Al4 Ca O7 | C 1 2/c 1 | 12.886; 8.883; 5.4423 90; 106.905; 90 | 596 | Efremov, V. A.; Gutnikov, S. I.; Kartashov, A. A.; Lazoryak, B.I. Average grossite crystal structure Personal communication to COD, 2012 |
| 3500015 | CIF HKL | C12 H22 O11 | P 1 21 1 | 7.789; 8.743; 10.883 90; 102.76; 90 | 722.8 | Luca Russo; Saulius Gražulis; Gintautas Bagdziunas Structure of Sucrose Personal communication to COD, 2013 |
| 3500016 | CIF | C36 H25 N O3 | P -1 | 10.99; 11.41; 13.062 109.668; 106.72; 104.309 | 1365.5 | John P Rappai Acta Personal communication to COD, 2014 |
| 3500017 | CIF | C35 H23 N O3 | P -1 | 10.99; 11.41; 13.062 109.668; 106.72; 104.309 | 1365.5 | John P Rappai unknown Personal communication to COD, 2014 |
| 3500018 | CIF HKL | C7 H4 Br N | P 1 21/n 1 | 7.5336; 3.9605; 22.3029 90; 93.1813; 90 | 664.42 | Thierry Maris 3-bromobenzonitrile Personal communication to COD, 2014 |
| 3500019 | CIF HKL | C10 H16 Cl N | P 1 21/n 1 | 17.8999; 6.6415; 18.0718 90; 99.2688; 90 | 2120.36 | Thierry Maris N,N,N-trimethyl-1-phenylmethanaminium chloride Personal communication to COD, 2019 |
| 3500020 | CIF HKL | C6 H4 Cl2 O2 S | P 1 21/n 1 | 6.2577; 7.7878; 16.1579 90; 97.32; 90 | 781.02 | Thierry Maris 4-Chlorobenzenesulfonyl chloride Personal communication to COD, 2019 |
| 3500021 | CIF HKL | C11 H7 N | P 1 21 1 | 3.9122; 13.604; 7.4016 90; 100.411; 90 | 387.44 | Thierry Maris 1-naphtonitrile Personal communication to COD, 2014 |
| 3500022 | CIF HKL | F9 Fe H2 O Pb3 | P -1 | 5.754; 5.939; 12.786 98.28; 94.04; 90.83 | 431.2 | Armel Le Bail Crystal structure of Pb3FeF9.H2O Personal communication to COD, 2015 |
| 3500023 | CIF HKL | Cd3 H16 O20 S3 | C 1 2/c 1 | 14.7968; 11.8592; 9.4389 90; 97.488; 90 | 1642.2 | Marilyn Olmstead Cadmium Sulfate 8/3 hydrate Personal communication to COD, 2015 |
| 3500024 | CIF HKL | C15 H13 N O4 | C 1 c 1 | 5.7567; 25.8548; 8.7938 90; 100.04; 90 | 1288.81 | Thierry Maris 4-Acetamidophenyl 2-hydroxybenzoate Personal communication to COD, 2015 |
| 3500025 | CIF | C10 H8 | P 1 21/c 1 | 7.7082; 5.9107; 7.7227 90; 100.378; 90 | 346.1 | Tobias Stürzer; Saulius Gražulis A structure of Azulene Personal communication to COD, 2015 |
| 3500026 | CIF | C4 H9 N O6 | P 21 21 21 | 7.6385; 7.773; 11.041 90; 90; 90 | 655.55 | Tobias Stürzer; Saulius Gražulis private communication Personal communication to COD, 2015 |
| 3500027 | CIF HKL | Co H9 N6 O6 | P 21 21 21 | 6.8358; 10.0116; 11.6421 90; 90; 90 | 796.75 | Miguel Quirós Redetermination of mer-[Co(NH3)3(NO2)3] Personal communication to COD, 2016 |
| 3500028 | CIF HKL | C11 H8 O | P 1 21/c 1 | 6.3287; 7.4523; 16.8507 90; 92.703; 90 | 793.85 | Thierry Maris 2-Naphthalenecarboxaldehyde Personal communication to COD, 2016 |
| 3500029 | CIF HKL | C10 H7 Cl O2 S | P -1 | 5.0373; 8.7819; 11.2288 73.632; 85.635; 82.993 | 472.58 | Thierry Maris 2-Naphthylsulfonyl chloride Personal communication to COD, 2016 |
| 3500030 | CIF HKL | C13 H22 Cl N | P 21 21 21 | 7.9943; 12.4491; 12.9791 90; 90; 90 | 1291.7 | Thierry Maris Benzyltriethylammonium chloride Personal communication to COD, 2016 |
| 3500031 | CIF HKL | C6 H5 Br2 N | P 21 21 21 | 4.3237; 10.1666; 16.3253 90; 90; 90 | 717.62 | Thierry Maris 2,6-Dibromoaniline Personal communication to COD, 2016 |
| 3500032 | CIF HKL | C7 H5 Cl N2 O4 | P 1 21/c 1 | 8.5171; 8.4949; 12.0795 90; 106.13; 90 | 839.57 | Thierry Maris 3,5-Dinitrobenzyl chloride Personal communication to COD, 2019 |
| 3500033 | CIF HKL | C8 H4 N2 O2 | P -1 | 3.6601; 6.0299; 8.3765 103.24; 102.529; 95.29 | 173.701 | Thierry Maris 1,4-Diisocyanatobenzene Personal communication to COD, 2019 |
| 3500034 | CIF HKL | C9 H7 N O2 | P 1 21/c 1 | 7.1996; 17.0679; 7.1221 90; 115.205; 90 | 791.85 | Thierry Maris Personal communication to COD, 2016 |
| 3500035 | CIF HKL | C17 H22 Cl2 Cu N4 O9 | P 1 21/c 1 | 8.812; 11.308; 23.127 90; 95.91; 90 | 2292.3 | Juergen Lange Personal communication to COD, 2016 |
| 3500036 | CIF HKL | C19 H20 Cu N2 O2 | P 1 21/n 1 | 9.746; 17.215; 11.36 90; 112.99; 90 | 1754.6 | Juergen Lange Personal communication to COD, 2016 |
| 3500037 | CIF HKL | C4 H5 Na O6 | P 1 21 1 | 5.2467; 7.783; 7.582 90; 101.39; 90 | 303.5 | Armel Le Bail Personal communication to COD, 2016 |
| 3500038 | CIF HKL | C4 H4 Ca O6 | C 2 2 21 | 7.618; 9.945; 7.219 90; 90; 90 | 546.9 | Armel Le Bail Personal communication to COD, 2016 |
| 3500039 | CIF HKL | C4 H5 Ca O6 | P 21 21 21 | 6.86394; 7.76619; 12.06935 90; 90; 90 | 643.377 | Armel Le Bail Calcium tartrate anhydrous form I Personal communication to COD, 2016 |
| 3500040 | CIF HKL | C12 H12 Br6 | R -3 :H | 16.3767; 16.3767; 5.3443 90; 90; 120 | 1241.29 | Thierry Maris hexa(bromomethyl)benzene Personal communication to COD, 2019 |
| 3500041 | CIF HKL | C7 H6 Br N O2 | P 1 21/c 1 | 12.1448; 4.4764; 15.0812 90; 112.566; 90 | 757.12 | Thierry Maris 2-Naphthylsulfonyl chloride Personal communication to COD, 2016 |
| 3500042 | CIF HKL | C48 H50 N16 O11 Zn | P -1 | 13.8436; 13.9166; 15.0218 105.968; 99.884; 113.157 | 2426.6 | Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M. Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate Personal communication to COD, 2016 |
| 3500043 | CIF | F6 K2 Zr | C 1 2/c 1 | 6.56646; 11.4444; 6.94202 90; 90.5668; 90 | 521.662 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
| 3500044 | CIF | F6 K2 Zr | F m -3 m | 9.15641; 9.15641; 9.15641 90; 90; 90 | 767.672 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
| 3500045 | CIF | F6 K2 Zr | P 4/n m m :2 | 6.33605; 6.33605; 9.29458 90; 90; 90 | 373.136 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
| 3500046 | CIF | F6 K2 Zr | C m c m | 6.37122; 20.5603; 19.6642 90; 90; 90 | 2575.9 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
| 3500047 | CIF | F6 K2 Zr | C m c m | 6.4084; 20.76974; 19.9888 90; 90; 90 | 2660.53 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
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