Crystallography Open Database
Search results
Result: there are 1728 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Crystal Growth & Design' volume of publication is 14
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
4512299 | CIF | C61 H54 I N8 Na O6 | C 1 2 1 | 27.3789; 6.8157; 20.8598 90; 134.626; 90 | 2770.4 | Buist, Amanda R.; Kennedy, Alan R. Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine Crystal Growth & Design, 2014, 14, 6508 |
4512300 | CIF | C75 H60 I3 N10 Na O5 | P 1 21/n 1 | 16.123; 11.227; 36.8726 90; 91.165; 90 | 6673 | Buist, Amanda R.; Kennedy, Alan R. Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine Crystal Growth & Design, 2014, 14, 6508 |
4512301 | CIF | C88 H70 Br4 I2 N11 Na O5 | P -1 | 10.2171; 14.4369; 27.5476 91.841; 96.689; 90.972 | 4032.7 | Buist, Amanda R.; Kennedy, Alan R. Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine Crystal Growth & Design, 2014, 14, 6508 |
4512302 | CIF | C15 H16 Br N3 O | P 1 21/n 1 | 11.0877; 5.4381; 24.663 90; 101.058; 90 | 1459.47 | Buist, Amanda R.; Kennedy, Alan R. Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine Crystal Growth & Design, 2014, 14, 6508 |
4512303 | CIF | C13 H10 Cl I2 N | C 1 2/c 1 | 10.2879; 17.9944; 8.8718 90; 122.427; 90 | 1386.3 | Buist, Amanda R.; Kennedy, Alan R. Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine Crystal Growth & Design, 2014, 14, 6508 |
4512304 | CIF | C13 H10 Br I2 N | P n a 21 | 18.0581; 10.3454; 14.9699 90; 90; 90 | 2796.7 | Buist, Amanda R.; Kennedy, Alan R. Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine Crystal Growth & Design, 2014, 14, 6508 |
4512305 | CIF | C76 H96 Br4 Cl6 N4 O9 | P -1 | 13.3944; 15.7651; 20.8205 81.3104; 77.788; 66.947 | 3942.5 | Beyeh, N. Kodiah; Pan, Fangfang; Rissanen, Kari Hierarchical Ordering in Ternary Co-Crystals of C60,N-Benzyl Ammonium Resorcinarene Bromide and Solvent Molecules Crystal Growth & Design, 2014, 14, 6161 |
4512306 | CIF | C7 H5 Cl2 N O2 | P m n a | 22.315; 3.8413; 19.598 90; 90; 90 | 1679.9 | Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons Crystal Growth & Design, 2014, 14, 6189 |
4512307 | CIF | C7 H5 Cl2 N O2 | P m n a | 22.252; 3.7729; 19.6529 90; 90; 90 | 1650 | Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons Crystal Growth & Design, 2014, 14, 6189 |
4512308 | CIF | C7 H5 I2 N O2 | P m n a | 22.7032; 4.1824; 19.5101 90; 90; 90 | 1852.56 | Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons Crystal Growth & Design, 2014, 14, 6189 |
4512309 | CIF | C7 H5 I2 N O2 | P m n a | 22.5957; 4.1172; 19.4964 90; 90; 90 | 1813.77 | Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons Crystal Growth & Design, 2014, 14, 6189 |
4512310 | CIF | C10 H10 B F4 I N2 | C 1 2/n 1 | 12.4909; 7.9389; 14.8184 90; 113.001; 90 | 1352.63 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512311 | CIF | C10 H10 B F4 I N2 | P 1 21/n 1 | 12.1812; 15.7817; 14.6363 90; 113.497; 90 | 2580.38 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512312 | CIF | C10 H10 F6 I N2 P | C 1 2/m 1 | 13.6186; 6.8104; 8.4412 90; 106.491; 90 | 750.7 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512313 | CIF | C10 H10 F6 I N2 P | C 1 2/m 1 | 13.6291; 6.6689; 8.3311 90; 105.743; 90 | 728.82 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512314 | CIF | C10 H10 Cl I N2 O4 | C 1 2/n 1 | 12.5366; 8.0714; 14.923 90; 113.319; 90 | 1386.68 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512315 | CIF | C10 H10 Cl I N2 O4 | P 1 21/n 1 | 12.1261; 15.9708; 14.7929 90; 113.742; 90 | 2622.39 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512316 | CIF | C11 H10 F3 I N2 O3 S | P -1 | 7.2427; 10.7513; 10.8275 92.95; 106.067; 104.941 | 775.92 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512317 | CIF | C11 H10 F3 I N2 O3 S | P -1 | 6.9897; 10.6617; 10.735 93.588; 105.368; 104.094 | 741.23 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512318 | CIF | C10 H10 I8 N2 | P 1 21/n 1 | 4.3576; 15.3233; 16.8802 90; 91.7309; 90 | 1126.62 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512319 | CIF | C10 H10 B Br F4 N2 | P 1 21/c 1 | 13.5556; 13.5811; 7.3247 90; 97.287; 90 | 1337.59 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512320 | CIF | C10 H10 B Br F4 N2 | P 1 21/c 1 | 13.722; 13.2565; 7.0604 90; 97.109; 90 | 1274.45 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512321 | CIF | C10 H10 Br F6 N2 P | P 1 21/c 1 | 6.7065; 10.6364; 9.9879 90; 90.374; 90 | 712.45 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512322 | CIF | C10 H10 Br F6 N2 P | P 1 21/c 1 | 6.6796; 10.6598; 9.6226 90; 89.073; 90 | 685.07 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512323 | CIF | C10 H10 Br Cl N2 O4 | C 1 2/c 1 | 10.2259; 12.5223; 20.4388 90; 92.547; 90 | 2614.64 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512324 | CIF | C10 H10 Br Cl N2 O4 | C 1 2/c 1 | 10.1232; 12.1732; 20.2353 90; 93.002; 90 | 2490.21 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512325 | CIF | C11 H10 Br F3 N2 O3 S | P -1 | 7.0831; 10.659; 10.7667 95.913; 104.24; 104.692 | 750.18 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512326 | CIF | C11 H10 Br F3 N2 O3 S | P -1 | 6.8906; 10.5223; 10.6716 96.948; 103.368; 103.979 | 717.56 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512327 | CIF | C10 H10 B F4 I N2 | P 1 | 12.3353; 79.515; 14.7011 90; 113.236; 90 | 13250 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512328 | CIF | C10 H10 Cl I N2 O4 | P 1 | 12.4327; 80.829; 14.8445 90; 113.272; 90 | 13703.9 | Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L. Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues. Crystal Growth & Design, 2014, 14, 6294-6301 |
4512329 | CIF | C52 H70 B2 Co Cu4 N18 O16 | C 1 2 1 | 26.676; 18.145; 18.954 90; 118.54; 90 | 8060 | Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation Crystal Growth & Design, 2014, 14, 6472 |
4512330 | CIF | C52 H70 B2 Co Cu4 N18 O16 | C 1 2 1 | 26.604; 18.113; 18.925 90; 118.24; 90 | 8034 | Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation Crystal Growth & Design, 2014, 14, 6472 |
4512332 | CIF | C17.5 H16 Cl N O4 | P b c n | 33.9859; 7.2091; 12.3233 90; 90; 90 | 3019.3 | Moon, Hyunsoo; Xuan, Qui Pham; Kim, Dokyoung; Kim, Yonghwi; Park, Jae Woo; Lee, Chong Han; Kim, Hyeong-Ju; Kawamata, Ayano; Park, Soo Young; Ahn, Kyo Han Molecular-Shape-Dependent Luminescent Behavior of Dye Aggregates: Bent versus Linear Benzocoumarins Crystal Growth & Design, 2014, 14, 6613 |
4512333 | CIF | C17 H15 N O4 | P -1 | 6.456; 12.5261; 16.8967 90.012; 90.001; 89.974 | 1366.41 | Moon, Hyunsoo; Xuan, Qui Pham; Kim, Dokyoung; Kim, Yonghwi; Park, Jae Woo; Lee, Chong Han; Kim, Hyeong-Ju; Kawamata, Ayano; Park, Soo Young; Ahn, Kyo Han Molecular-Shape-Dependent Luminescent Behavior of Dye Aggregates: Bent versus Linear Benzocoumarins Crystal Growth & Design, 2014, 14, 6613 |
4512334 | CIF | C167 H144 Mn6 N7 O34 | P -1 | 13.8783; 20.3674; 21.0344 62.572; 82.489; 73.85 | 5069.1 | Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand Crystal Growth & Design, 2014, 14, 6521 |
4512335 | CIF | C159 H122 Cd6 N5 O30 | P n a 21 | 42.439; 13.969; 33.47 90; 90; 90 | 19842 | Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand Crystal Growth & Design, 2014, 14, 6521 |
4512336 | CIF | C16 H18 N4 O6 S2 | P -1 | 7.961; 8.127; 14.041 92.111; 99.219; 90.526 | 896 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512337 | CIF | C16 H18 N4 O6 S2 | P -1 | 7.967; 8.131; 14.048 92.12; 99.247; 90.52 | 897.5 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512338 | CIF | C16 H18 N4 O6 S2 | P -1 | 7.982; 8.147; 14.075 92.135; 99.273; 90.523 | 902.6 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512339 | CIF | C16 H18 N4 O6 S2 | P -1 | 7.979; 8.143; 14.066 92.142; 99.311; 90.527 | 901.1 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512340 | CIF | C16 H18 N4 O6 S2 | P -1 | 7.982; 8.142; 14.067 92.179; 99.398; 90.53 | 901.2 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512341 | CIF | C16 H18 N4 O6 S2 | P -1 | 7.994; 8.153; 14.085 92.195; 99.444; 90.518 | 904.8 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512342 | CIF | C16 H18 N4 O6 S2 | P -1 | 7.981; 8.136; 14.06 92.211; 99.516; 90.523 | 899.6 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512343 | CIF | C16 H18 N4 O6 S2 | P -1 | 8; 8.152; 14.09 92.224; 99.586; 90.53 | 905.3 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512344 | CIF | C16 H18 N4 O6 S2 | P -1 | 8.002; 8.152; 14.089 92.243; 99.692; 90.536 | 905.1 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512345 | CIF | C16 H18 N4 O6 S2 | P -1 | 8.03; 8.179; 14.136 92.277; 99.815; 90.533 | 914 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512346 | CIF | C16 H18 N4 O6 S2 | P -1 | 8.012; 8.154; 14.095 92.292; 100; 90.54 | 906 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512347 | CIF | C16 H18 N4 O6 S2 | P -1 | 8.038; 8.174; 14.132 92.308; 100.312; 90.536 | 912.6 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512348 | CIF | C16 H18 N4 O6 S2 | P -1 | 8.041; 8.174; 14.11 92.302; 101.34; 90.444 | 908.5 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
4512349 | CIF | C16 H18 N4 O6 S2 | P -1 | 8.042; 8.179; 14.106 92.283; 101.589; 90.378 | 908.1 | Shi, Chao; Wei, Bin; Zhang, Wen Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate Crystal Growth & Design, 2014, 14, 6570 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!