Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4516166 | CIF | C32 H30 N2 | C 1 2/c 1 | 34.0363; 7.9956; 18.5251 90; 97.374; 90 | 4999.7 | Dong, Chao; Dickie, Diane A.; Maio, William A.; Manz, Thomas A. Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone. ACS omega, 2018, 3, 16858-16865 |
| 4516167 | CIF | C8 H4 F3 N3 S2 | P -1 | 7.62509; 8.44847; 15.92585 104.231; 94.45; 103.15 | 958.65 | Boeré, René T Experimental and Computational Evidence for "Double Pancake Bonds": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines. ACS omega, 2018, 3, 18170-18180 |
| 4516168 | CIF | C8 H4 F3 N5 S3 | C 1 2/c 1 | 22.90772; 4.66989; 22.2724 90; 106.678; 90 | 2282.39 | Boeré, René T Experimental and Computational Evidence for "Double Pancake Bonds": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines. ACS omega, 2018, 3, 18170-18180 |
| 4516169 | CIF | C33 H29 N O5 S | P 1 21 1 | 10.4125; 7.9214; 17.1706 90; 100.71; 90 | 1391.59 | Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions. ACS omega, 2018, 3, 16615-16625 |
| 4516170 | CIF | C48 H38 N2 O6 S2 | P 61 | 11.977; 11.977; 47.127 90; 90; 120 | 5854.6 | Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions. ACS omega, 2018, 3, 16615-16625 |
| 4516171 | CIF | C23 H13 N O3 | P 21 21 21 | 6.2228; 16.253; 17.111 90; 90; 90 | 1730.6 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516172 | CIF | C16 H12 O | P 1 21/c 1 | 13.4246; 5.6336; 7.7042 90; 90.883; 90 | 582.59 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516173 | CIF | C21 H13 N O2 | P b c a | 7.353; 13.0226; 32.757 90; 90; 90 | 3136.7 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516174 | CIF | C19 H11 N O2 | P 1 c 1 | 5.843; 3.9026; 30.318 90; 94.535; 90 | 689.17 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516175 | CIF | C20 H14 O2 | P n a 21 | 11.0189; 5.6659; 46.0573 90; 90; 90 | 2875.45 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516176 | CIF | C17 H11 N O | P 1 n 1 | 3.8218; 5.7496; 27.25 90; 93.862; 90 | 597.43 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516177 | CIF | C18 H12 O2 | P 1 21 1 | 6.4009; 7.3211; 13.9114 90; 100.161; 90 | 641.69 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516178 | CIF | C13 H24 N O23 P Tb2 | P 1 21/n 1 | 11.4973; 14.4173; 15.8364 90; 109.373; 90 | 2476.4 | Jiao, Cheng-Qi; Sun, Meng; Liu, Fang; Zhou, Ya-Nan; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing Terbium Oxalatophosphonate as Efficient Multiresponsive Luminescent Sensors for Chromate Anions and Tryptophan Molecules. ACS omega, 2018, 3, 16735-16742 |
| 4516179 | CIF | C23 H22 N6 | P 1 21/c 1 | 24.483; 4.4738; 19.705 90; 113.73; 90 | 1975.8 | Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K. Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing. ACS omega, 2018, 3, 3022-3035 |
| 4516180 | CIF | C16 H20 N5 O3 P | P -1 | 7.4514; 10.2478; 12.0251 74.076; 89.764; 85.604 | 880.27 | Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K. Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing. ACS omega, 2018, 3, 3022-3035 |
| 4516181 | CIF | C68 H92 N12 O20 Re4 S4 | P -1 | 13.5644; 14.7817; 23.8992 103.053; 95.08; 108.299 | 4365.7 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516182 | CIF | C68 H56 N8 O16 Re4 S4 | P 1 21/n 1 | 20.384; 17.0684; 21.821 90; 94.39; 90 | 7570 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516183 | CIF | C74 H70 N10 O18 Re4 S4 | P -1 | 14.247; 14.3139; 25.3456 79.388; 82.079; 84.365 | 5017.8 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516184 | CIF | C92 H92 Fe4 N12 O20 Re4 S4 | P -1 | 13.8133; 13.9339; 14.4964 71.743; 78.559; 80.466 | 2580.96 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516185 | CIF | C102 H96 N12 O20 Re4 S4 | P -1 | 14.9664; 17.7611; 22.4582 92.133; 101.334; 106.648 | 5580.2 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516186 | CIF | C40 H29 Ir N6 O2 | P 1 21/c 1 | 13.305; 21.832; 12.476 90; 101.87; 90 | 3546.5 | Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex. ACS omega, 2018, 3, 2786-2792 |
| 4516187 | CIF | C80 H56 Cl2 Cu2 Ir2 N12 O4 | P -1 | 12.147; 12.958; 14.044 75.832; 67.388; 74.135 | 1938.5 | Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex. ACS omega, 2018, 3, 2786-2792 |
| 4516188 | CIF | C112 H124 Ir2 N10 O4 | P 1 21 1 | 9.0272; 29.178; 18.4176 90; 99.641; 90 | 4782.6 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
| 4516189 | CIF | C49 H52 Ir N5 O2 | P 1 21/c 1 | 18.644; 8.9321; 25.915 90; 96.994; 90 | 4283.5 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
| 4516190 | CIF | C98 H104 Ir2 N10 O7 | P 1 21/c 1 | 19.025; 9.09; 25.534 90; 96.237; 90 | 4390 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
| 4516191 | CIF | C14 H11 Cl N2 | P 1 21/c 1 | 10.914; 11.6724; 9.8263 90; 106.975; 90 | 1197.3 | Dey, Amrita; Singsardar, Mukta; Sarkar, Rajib; Hajra, Alakananda Environment-Friendly Protocol for the Chlorination of Imidazoheterocycles by Chloramine-T. ACS omega, 2018, 3, 3513-3521 |
| 4516192 | CIF | Co2.44 Na9 O54 W9.56 | P 1 21/n 1 | 13.101; 17.775; 21.174 90; 93.628; 90 | 4920.9 | Thakur, Neha; Das Adhikary, Subhasis; Kumar, Mukesh; Mehta, Daisy; Padhan, Anil K.; Mandal, Debaprasad; Nagaiah, Tharamani C. Ultrasensitive and Highly Selective Electrochemical Detection of Dopamine Using Poly(ionic liquids)-Cobalt Polyoxometalate/CNT Composite. ACS omega, 2018, 3, 2966-2973 |
| 4516193 | CIF | C22 H26 N2 O | P 1 21/c 1 | 9.163; 8.368; 24.984 90; 97.39; 90 | 1900 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
| 4516194 | CIF | C22 H25 N3 O3 | P 1 21/c 1 | 21.333; 7.865; 11.834 90; 100.552; 90 | 1952 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
| 4516195 | CIF | C23 H28 N2 O3 S | P 1 21/c 1 | 23.398; 7.4277; 12.2111 90; 92.075; 90 | 2120.8 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
| 4516196 | CIF | C4 H14 Cl4 N2 Pb | I m m a | 14.1404; 5.79829; 14.2252 90; 90; 90 | 1166.33 | Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei; Han, Dan; Chen, Shiyou; Yang, Dong; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu; Dong, Angang A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions ACS Energy Letters, 2018, 3, 1443 |
| 4516197 | CIF | C5.4 H22.2 I7 N3.6 O2.4 Sn2 | P 4/m | 14.62; 14.62; 6.392 90; 90; 90 | 1366.3 | Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells ACS Energy Letters, 2018, 3, 2077 |
| 4516198 | CIF | C4 H16 I4 N2 O2 Sn | P n m a | 13.0062; 19.617; 6.3852 90; 90; 90 | 1629.1 | Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells ACS Energy Letters, 2018, 3, 2077 |
| 4516199 | CIF | C4 H16 I4 N2 O2 Sn | P 1 21/c 1 | 10.1959; 9.0234; 8.9297 90; 100.36; 90 | 808.15 | Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells ACS Energy Letters, 2018, 3, 2077 |
| 4516200 | CIF | C1.4 H6.2 I3 N1.6 O0.4 Sn | R 3 :H | 8.92; 8.92; 10.934 90; 90; 120 | 753.4 | Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells ACS Energy Letters, 2018, 3, 2077 |
| 4516781 | CIF | C38 H33 Cl4 N3 O13 | P 1 | 8.2491; 10.4883; 11.6077 82.052; 77.374; 88.501 | 970.58 | Chu, Hang; Smith, Joel M.; Felding, Jakob; Baran, Phil S. Scalable Synthesis of (-)-Thapsigargin. ACS central science, 2017, 3, 47-51 |
| 4516782 | CIF | C25 H33 N O8 | P 21 21 2 | 18.9642; 11.2161; 13.5628 90; 90; 90 | 2884.87 | Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science, 2017, 3, 278-282 |
| 4516783 | CIF | C42 H48 B N O10 | P 1 21 1 | 8.7826; 22.1496; 10.3099 90; 109.928; 90 | 1885.5 | Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science, 2017, 3, 278-282 |
| 4516784 | CIF | C33 H57 N O12 | P 21 21 21 | 10.9374; 11.9604; 27.4814 90; 90; 90 | 3595 | Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science, 2017, 3, 278-282 |
| 4516785 | CIF | C58 H90.76 N2 O18.38 | P 32 | 20.8804; 20.8804; 11.5639 90; 90; 120 | 4366.3 | Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science, 2017, 3, 278-282 |
| 4516786 | CIF | C27 H15 N3 O3 | P c c n | 3.8199; 19.117; 25.488 90; 90; 90 | 1861.3 | Mamada, Masashi; Inada, Ko; Komino, Takeshi; Potscavage, Jr, William J; Nakanotani, Hajime; Adachi, Chihaya Highly Efficient Thermally Activated Delayed Fluorescence from an Excited-State Intramolecular Proton Transfer System. ACS central science, 2017, 3, 769-777 |
| 4516787 | CIF | C102 H100 B2 N6 Ni O2 | P -1 | 12.6909; 16.3914; 20.9924 81.335; 76.622; 80.613 | 4162.4 | Bunescu, Ala; Lee, Sunwoo; Li, Qian; Hartwig, John F. Catalytic Hydroxylation of Polyethylenes. ACS central science, 2017, 3, 895-903 |
| 4516788 | CIF | C22 H26 O8 | C 1 2/c 1 | 25.102; 6.0323; 28.707 90; 111.423; 90 | 4046.6 | Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A. Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist. ACS central science, 2017, 3, 1329-1336 |
| 4516789 | CIF | C16 H22 O5 | P 1 21/n 1 | 15.183; 6.01; 36.8552 90; 95.228; 90 | 3349 | Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A. Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist. ACS central science, 2017, 3, 1329-1336 |
| 4516951 | CIF | C29 H30 Cl N O Ru | P 21 21 21 | 9.044; 13.524; 20.436 90; 90; 90 | 2499.5 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
| 4516952 | CIF | C47 H45 F6 N O P2 Ru | P 1 21 1 | 10.5006; 17.8634; 34.4468 90; 98.1; 90 | 6396.95 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
| 4516953 | CIF | C49 H49 Cl4 F6 N O P2 Ru | P 1 21 1 | 10.429; 16.431; 14.06 90; 98.59; 90 | 2382.3 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
| 4517034 | CIF | C9.5 H13 N O2 Zn0.5 | C 1 2/c 1 | 10.994; 12.322; 15.365 90; 104.93; 90 | 2011 | Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P. Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures Crystal Growth & Design, 2003, 3, 631 |
| 4517138 | CIF | C31 H33 Fe O2 P | P -1 | 9.2693; 9.4061; 15.4687 88.6025; 87.6725; 80.3371 | 1328.24 | Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer ACS Macro Letters, 2014, 3, 1281 |
| 4517139 | CIF | C30 H31 Fe O2 P | F d d 2 | 41.3534; 64.6397; 8.1309 90; 90; 90 | 21734.5 | Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer ACS Macro Letters, 2014, 3, 1281 |
| 4517357 | CIF | C9.5 H13 N O2 Zn0.5 | F d d 2 | 11.181; 28.583; 12.309 90; 90; 90 | 3933.8 | Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P. Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures Crystal Growth & Design, 2003, 3, 631 |
| 4518396 | CIF | C110 H172 N4 O6 Si2 Zn | C 1 2/c 1 | 38.361; 15.8528; 17.6645 90; 100.831; 90 | 10550.9 | Choi, Sunghan; Kim, Chul Hoon; Baeg, Jin-Ook; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook Collisional Electron Transfer Route between Homogeneous Porphyrin Dye and Catalytic TiO2/Re(I) Particles for CO2 Reduction ACS Applied Energy Materials, 2020, 3, 11581-11596 |
| 5000155 | CIF | C6 H5 N O2 | P 1 21/c 1 | 3.8014; 11.6153; 12.9843 90; 94.984; 90 | 571.15 | Boese, Roland; Bläser, Dieter; Nussbaumer, Michael; Krygowski, Tadeusz Marek Low temperature crystal and molecular structure of nitrobenzene Structural Chemistry, 1992, 3, 363-368 |
| 5900002 | CIF | C H4 N2 O | P -4 21 m | 5.67; 5.67; 4.726 90; 90; 90 | 151.94 | Strukturbericht, 3, 660 |
| 5900004 | CIF | C2 H6 N2 O | P 21 21 21 | 6.89; 6.96; 8.45 90; 90; 90 | 405.21 | Strukturbericht, 3, 660 |
| 5900006 | CIF | C H5 B F3 N | P 1 21/m 1 | 5.06; 7.28; 5.81 90; 101.52; 90 | 209.71 | Geller, S.; Hoard, J. L. Structures of molecular addition compounds. I. Monomethyl amine–boron trifluoride, H~3~CH~2~N–BF~3~ Acta Crystallographica, 1950, 3, 121-129 |
| 5900007 | CIF | C2 H3 B F3 N | P n m a | 7.76; 7.2; 8.34 90; 90; 90 | 465.97 | Hoard, J. L.; Owen, T. B.; Buzzell, A.; Salmon, O. N. Structures of molecular addition compounds. II. Methyl cyanide‒boron trifluoride, H~3~CCN‒BF~3~ Acta Crystallographica, 1950, 3, 130-137 |
| 5900011 | CIF | C2 H2 I2 | P 1 21/c 1 | 4.58; 13.31; 4.58 90; 105.33; 90 | 269.26 | Strukturbericht, 3, 666 |
| 5900012 | CIF | C2 H4 I2 | P 1 21/c 1 | 4.768; 12.897; 4.784 90; 105.08; 90 | 284.05 | Strukturbericht, 3, 665 |
| 5900026 | CIF | C3 H10 Cl N | C 1 2/m 1 | 9.06; 8.58; 7.34 90; 98; 90 | 565.02 | King, M. V.; Lipscomb, W. N. The low-temperature modification of n-propyl-ammonium chloride Acta Crystallographica, 1950, 3, 227-230 |
| 5900027 | CIF | C3 H10 Cl N | P 4/n m m | 6.22; 6.22; 7.377 90; 90; 90 | 285.4 | King, M. V.; Lipscomb, W. N. The structures of the n-propylammonium halides at room temperature Acta Crystallographica, 1950, 3, 222-227 |
| 5900028 | CIF | C6 H16 N2 | P b c a | 6.94; 5.77; 19.22 90; 90; 90 | 769.64 | Binnie, W. P.; Robertson, J. M. The crystal structure of hexamethylenediamine Acta Crystallographica, 1950, 3, 424-429 |
| 5900032 | CIF | C2 H2 O4 | P c a b | 6.546; 7.847; 6.086 90; 90; 90 | 312.62 | Strukturbericht, 3, 671 |
| 5900033 | CIF | C2 H2 O4 | P 1 21/c 1 | 5.3; 6.09; 5.51 90; 115.5; 90 | 160.52 | Strukturbericht, 3, 672 |
| 5910156 | CIF | F10 Ho3 Na | P m -3 n | 5.81; 5.81; 5.81 90; 90; 90 | 196.123 | Wyckoff, R. W. G. Page 484-486 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 484-484 |
| 5910158 | CIF | O4 W Zn | P 1 2/c 1 | 4.691; 5.72; 4.925 90; 90.38; 90 | 132.147 | Wyckoff, R. W. G. Page 41-43 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 41-41 |
| 5910159 | CIF | F8 N4 P4 | P 1 21/a 1 | 7.4; 13.83; 5.16 90; 109.3; 90 | 498.407 | Wyckoff, R. W. G. Page 467 & 468 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 467-468 |
| 5910160 | CIF | O7 P2 Si | P a -3 | 7.46; 7.46; 7.46 90; 90; 90 | 415.161 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 5910161 | CIF | Mn2 Ni O4 | F d -3 m :2 | 8.4028; 8.4028; 8.4028 90; 90; 90 | 593.297 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910163 | CIF | Na O4 Re | I 41/a :2 | 5.362; 5.362; 11.718 90; 90; 90 | 336.905 | Wyckoff, R. W. G. Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-19 |
| 5910164 | CIF | O7 P2 Sn | P a -3 | 7.89; 7.89; 7.89 90; 90; 90 | 491.169 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 5910166 | CIF | F14 Fe3 Na5 | P 4/m n c | 7.34; 7.34; 10.38 90; 90; 90 | 559.229 | Wyckoff, R. W. G. Page 492 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 492-492 |
| 5910167 | CIF | Mn O4 Ti2 | F d -3 m :2 | 8.6; 8.6; 8.6 90; 90; 90 | 636.056 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910168 | CIF | Cu O4 S | P n m a | 8.3956; 6.6982; 4.8291 90; 90; 90 | 271.566 | Wyckoff, R. W. G. Page 40 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 40-40 |
| 5910169 | CIF | Cu S4 Ti2 | F d -3 m :2 | 9.88; 9.88; 9.88 90; 90; 90 | 964.43 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910170 | CIF | Cd2 Mo3 O8 | P 63 m c | 5.835; 5.835; 10.815 90; 90; 120 | 318.889 | Wyckoff, R. W. G. Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 467-467 |
| 5910171 | CIF | Ho O4 V | I 41/a m d :2 | 7.1214; 7.1214; 6.2926 90; 90; 90 | 319.125 | Wyckoff, R. W. G. Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 15-17 |
| 5910172 | CIF | Cu2 S4 Sn | F d -3 m :2 | 10.87; 10.87; 10.87 90; 90; 90 | 1284.37 | Wyckoff, R. W. G. Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-79 |
| 5910173 | CIF | Cd O4 Rh2 | F d -3 m :2 | 8.781; 8.781; 8.781 90; 90; 90 | 677.067 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910174 | CIF | Cd In2 S4 | F d -3 m :2 | 10.818; 10.818; 10.818 90; 90; 90 | 1266.02 | Wyckoff, R. W. G. Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-80 |
| 5910175 | CIF | Cl9 Cs3 V2 | P 63/m m c | 7.24; 7.24; 17.94 90; 90; 120 | 814.386 | Wyckoff, R. W. G. Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 475-475 |
| 5910176 | CIF | Cr K3 O8 | I -4 2 m | 6.7; 6.7; 7.6 90; 90; 90 | 341.164 | Wyckoff, R. W. G. Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 455-455 |
| 5910177 | CIF | Al2 Hg Se4 | I -4 | 5.708; 5.708; 10.74 90; 90; 90 | 349.923 | Wyckoff, R. W. G. Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 72-74 |
| 5910178 | CIF | Ba Cr O4 | P n m a | 9.103; 5.526; 7.337 90; 90; 90 | 369.074 | Wyckoff, R. W. G. Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 46-47 |
| 5910180 | CIF | Cl9 Cs3 Ti2 | P 63/m m c | 7.32; 7.32; 17.97 90; 90; 120 | 833.875 | Wyckoff, R. W. G. Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 475-475 |
| 5910181 | CIF | O4 Rb2 Se | P n m a | 8.01; 6.18; 10.85 90; 90; 90 | 537.095 | Wyckoff, R. W. G. Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 95-102 |
| 5910182 | CIF | As Bi O4 | I 41/a :2 | 5.08; 5.08; 11.7 90; 90; 90 | 301.935 | Wyckoff, R. W. G. Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-19 |
| 5910184 | CIF | Bi O4 Sb | C 1 2/c 1 | 5.464; 4.887; 11.81 90; 101; 90 | 309.563 | Wyckoff, R. W. G. Page 44 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 44-44 |
| 5910185 | CIF | Mg O4 Rh2 | F d -3 m :2 | 8.53; 8.53; 8.53 90; 90; 90 | 620.65 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910186 | CIF | In2 Mg S4 | F d -3 m :2 | 10.708; 10.708; 10.708 90; 90; 90 | 1227.79 | Wyckoff, R. W. G. Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-80 |
| 5910187 | CIF | K O4 Tc | I 41/a :2 | 5.654; 5.654; 13.03 90; 90; 90 | 416.539 | Wyckoff, R. W. G. Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-19 |
| 5910189 | CIF | Cs F13 Sb4 | I 4/m | 9.639; 9.639; 6.785 90; 90; 90 | 630.397 | Wyckoff, R. W. G. Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 489-489 |
| 5910190 | CIF | Nb O4 Y | I 41/a :2 | 5.16; 5.16; 10.91 90; 90; 90 | 290.485 | Wyckoff, R. W. G. Pages 19, 20 & 21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-21 |
| 5910191 | CIF | O4 Pb Se | P n m a | 8.592; 5.63; 7.129 90; 90; 90 | 344.851 | Wyckoff, R. W. G. Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 46-47 |
| 5910193 | CIF | Mo3 O8 Zn2 | P 63 m c | 5.775; 5.775; 9.915 90; 90; 120 | 286.37 | Wyckoff, R. W. G. Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 467-467 |
| 5910194 | CIF | Ag I O4 | I 41/a :2 | 5.374; 5.374; 12.094 90; 90; 90 | 349.273 | Wyckoff, R. W. G. Pages 19 & 21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-21 |
| 5910195 | CIF | Cu Ga2 O4 | F d -3 m :2 | 8.39; 8.39; 8.39 90; 90; 90 | 590.59 | Wyckoff, R. W. G. Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-80 |
| 5910196 | CIF | F8 Na3 Ta | C 1 2/c 1 | 7.05; 7.05; 8.05 90; 120.55; 90 | 344.565 | Wyckoff, R. W. G. Page 456 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 456-456 |
| 5910197 | CIF | K2 O4 Te | P n m a | 7.9; 6.25; 10.5 90; 90; 90 | 518.438 | Wyckoff, R. W. G. Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 95-102 |
| 5910198 | CIF | K3 O8 Ta | I -4 2 m | 6.78; 6.78; 7.88 90; 90; 90 | 362.231 | Wyckoff, R. W. G. Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 455-455 |
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