Crystallography Open Database
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Searching space group like 'P 31 2 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1530731 | CIF | Mn2 O7 Sb2 | P 31 2 1 | 7.191; 7.191; 17.398 90; 90; 120 | 779.128 | Scott, H.G. Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6 Journal of Solid State Chemistry, 1987, 66, 171-180 |
| 1531230 | CIF | Te | P 31 2 1 | 4.458; 4.458; 5.925 90; 90; 120 | 101.976 | Bouad, N.; Chapon, L.; Marin-Ayral, R.M.; Bouree-Vigneron, F.; Tedenac, J.C. Neutron powder diffraction study of strain and crystallite size in mechanically alloyed Pb Te Journal of Solid State Chemistry, 2003, 173, 189-195 |
| 1531574 | CIF | Cl8 K3 Tc2 | P 31 2 1 | 12.8; 12.8; 8.3 90; 90; 120 | 1177.68 | Koz'min, P.A.; Novitskaya, G.N. X-ray diffraction study of K3 (Tc2 Cl8) (H2 O)2 and Cs3 (Tc2 Cl8) (H2 O)2 Zhurnal Neorganicheskoi Khimii, 1972, 17, 3138-3139 |
| 1531951 | CIF | Al O4 P | P 31 2 1 | 4.94291; 4.94291; 10.94761 90; 90; 120 | 231.641 | Ng, H.N.; Calvo, C. X-ray study of the alpha-beta transformation of Berlinite Al P O4 Canadian Journal of Physics, 1976, 54, 638-647 |
| 1532070 | CIF | Al0.9 Ni12.54 Si8.1 | P 31 2 1 | 7.653; 7.653; 14.665 90; 90; 120 | 743.834 | Richter, K.W. Crystal structure and phase relations of Ni13+x Aly Si9-y Journal of Alloys Compd., 2002, 338, 43-50 |
| 1532673 | CIF | As3 La1.5 O12 Sr1.5 Tl1.5 | P 31 2 1 | 7.3895; 7.3895; 6.8121 90; 90; 120 | 322.138 | Lafjij, M.; El Jouhari, N.; Wallez, G.; Benabad, A.; le Flem, G.; Gravereau, P.; Garcia, A. Structural study and luminescence of Tl Sr La (As O4)2 Materials Research Bulletin, 2003, 38, 1755-1765 |
| 1532906 | CIF | Fe O4 P | P 31 2 1 | 5.039; 5.039; 11.412 90; 90; 120 | 250.946 | Mittal, R.; Loong, C.-K.; Kolesnikov, A.I.; Chaplot, S.L.; Kulshreshtha, S.K.; Jayakumar, O.D. Inelastic neutron scattering, lattice dynamics and synchrotron X-ray diffraction study of Fe P O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 174304-1-174304-7 |
| 1533353 | CIF | Dy1.78 Mn0.89 O6.82 Ta1.11 | P 31 2 1 | 7.3872; 7.3872; 17.1351 90; 90; 120 | 809.799 | Chen, G.; Takenoshita, H.; Satoh, H.; Kamegashira, N.; Miyamoto, M. Structural analysis of complex oxides Ln2 Mn Ta1+x O7+d (Ln = rare earth and yttrium) with pyrochlore-related structures Journal of Alloys Compd., 2004, 374, 177-180 |
| 1534002 | CIF | Hg S0.3 Se0.7 | P 31 2 1 | 4.128; 4.128; 9.526 90; 90; 120 | 140.579 | Kozlenko, D.P.; Glazkov, V.P.; Hull, S.; Savenko, B.N.; Shchennikov, V.V.; Voronin, V.I. Structural study of ternary mercury chalcogenides at high pressures Appl. Phys. A, 2002, 74, S983-S985 |
| 1534008 | CIF | Hg S0.15 Te0.85 | P 31 2 1 | 4.415; 4.415; 9.927 90; 90; 120 | 167.575 | Kozlenko, D.P.; Glazkov, V.P.; Hull, S.; Savenko, B.N.; Shchennikov, V.V.; Voronin, V.I. Structural study of ternary mercury chalcogenides at high pressures Appl. Phys. A, 2002, 74, S983-S985 |
| 1534711 | CIF | Se | P 31 2 1 | 4.3; 4.3; 4.89 90; 90; 120 | 78.303 | Avilov, A.S.; Imamov, R.M. The structure of selenium Kristallografiya, 1969, 14, 330-331 |
| 1535361 | CIF | C0.51 N0.12 Ti | P 31 2 1 | 3.057; 3.057; 14.895 90; 90; 120 | 120.549 | Tashmetov, M.Yu.; Em, V.T.; Mukhtarova, N.N. Trigonal ordered structure in titanium carbonitride Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1996, 32, 171-172 |
| 1536737 | CIF | As5 Ba2 Rb | P 31 2 1 | 7.7844; 7.7844; 14.309 90; 90; 120 | 750.914 | Emmerling, F.; Petri, D.; Roehr, C. Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2490-2501 |
| 1537223 | CIF | Be F2 | P 31 2 1 | 4.688; 4.688; 5.185 90; 90; 120 | 98.686 | Lacks, D.J.; Gordon, R.G. Crystal-structure calculations with distorted ions Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1993, 48, 2889-2908 |
| 1537224 | CIF | O2 Ti | P 31 2 1 | 5.291; 5.291; 6.133 90; 90; 120 | 148.689 | Lacks, D.J.; Gordon, R.G. Crystal-structure calculations with distorted ions Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1993, 48, 2889-2908 |
| 1540010 | CIF | Ba O2 Zn | P 31 2 1 | 5.886; 5.886; 6.734 90; 90; 120 | 202.043 | von Schnering, H.G.; Hoppe, R.; Zemann, J. Die Kristallstruktur des Ba Zn O2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1960, 305, 241-254 |
| 1540227 | CIF | C3.75 Ti6 | P 31 2 1 | 3.06; 3.06; 14.91 90; 90; 120 | 120.907 | Khaenko, B.V.; Kukol', V.V. Real order structure of titanium carbide Kristallografiya, 1989, 34, 1513-1517 |
| 1542919 | CIF HKL | B3 Ba2.76 Eu0.24 O15 P3 | P 31 2 1 | 7.104645; 7.104645; 6.986941 90; 90; 120 | 305.424 | Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+ Science of Advanced Materials, 2016, 8, 1086-1092 |
| 1548032 | CIF | C5 H7 N8 O0.5 Zn | P 31 2 1 | 9.6767; 9.6767; 20.172 90; 90; 120 | 1635.8 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548033 | CIF | C5 H6 N8 Zn | P 31 2 1 | 9.6963; 9.6963; 20.126 90; 90; 120 | 1638.7 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548034 | CIF | C5.7 H8.09 N8 Zn | P 31 2 1 | 9.663; 9.663; 20.224 90; 90; 120 | 1635.4 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548035 | CIF | C5.78 H7.56 N8 Zn | P 31 2 1 | 9.6896; 9.6896; 20.153 90; 90; 120 | 1638.6 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548036 | CIF | C5.13 H6 N8 O0.27 Zn | P 31 2 1 | 9.7682; 9.7682; 20.1 90; 90; 120 | 1660.9 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1549270 | CIF | C32 H33 N O3 | P 31 2 1 | 12.0961; 12.0961; 30.6664 90; 90; 120 | 3885.8 | Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L. Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations. Chemical science, 2018, 9, 4644-4649 |
| 1552956 | CIF | C7 H9.37 Fe O8.18 | P 31 2 1 | 8.7445; 8.7445; 10.935 90; 90; 120 | 724.1 | Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink. Analytical chemistry, 2016, 88, 5152-5158 |
| 1553400 | CIF | C25 H28 O9 | P 31 2 1 | 11.6878; 11.6878; 29.8747 90; 90; 120 | 3534.27 | Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J. Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton. Journal of natural products, 2018, 81, 2244-2250 |
| 1554047 | CIF | C48 H42 O6 | P 31 2 1 | 11.5313; 11.5313; 27.9387 90; 90; 120 | 3217.3 | Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry Unusual Chiroptical Properties of the Cryptophane-222 Skeleton. The journal of physical chemistry. B, 2016, 120, 12650-12659 |
| 1555274 | CIF | C9 H10 O8 | P 31 2 1 | 16.5141; 16.5141; 9.7096 90; 90; 120 | 2293.2 | Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I. Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights Chemical Science, 2019, 10, 9988 |
| 1557058 | CIF | C36.5 H57 B Cl F4 N4 P4 Rh | P 31 2 1 | 13.824; 13.824; 40.089 90; 90; 120 | 6635 | Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates Catalysis Science & Technology, 2020, 10, 630-634 |
| 1558667 | CIF | C24.38 H28.5 F1.5 N3 O5.62 | P 31 2 1 | 20.704; 20.704; 13.5643 90; 90; 120 | 5035.4 | Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020 |
| 1558669 | CIF | C24.75 H29.25 F1.5 N3 O5.62 | P 31 2 1 | 20.7; 20.7; 13.6652 90; 90; 120 | 5070.9 | Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020 |
| 1559676 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.7702; 13.7702; 13.2048 90; 90; 120 | 2168.42 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559677 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.9775; 13.9775; 13.0994 90; 90; 120 | 2216.4 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559679 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.9689; 14.9689; 12.6934 90; 90; 120 | 2463.14 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559681 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.0982; 14.0982; 13.0538 90; 90; 120 | 2247 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559682 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.6191; 13.6191; 13.2288 90; 90; 120 | 2124.9 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559683 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.366; 14.366; 12.8607 90; 90; 120 | 2298.6 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559684 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.218; 14.218; 13.0014 90; 90; 120 | 2276.1 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559685 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.515; 14.515; 12.8247 90; 90; 120 | 2340 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559686 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.9484; 13.9484; 13.1157 90; 90; 120 | 2209.89 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559687 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.8744; 14.8744; 12.7248 90; 90; 120 | 2438.2 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559688 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.921; 14.921; 12.7118 90; 90; 120 | 2450.94 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1560571 | CIF | O4 P Sm | P 31 2 1 | 7.038998; 7.038998; 6.370215 90; 90; 120 | 273.342 | Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy) Journal of Solid State Chemistry, 2017, 249, 221-227 |
| 1561477 | CIF | C32 H60 N12 O16 Zn2 | P 31 2 1 | 8.9788; 8.9788; 44.4258 90; 90; 120 | 3101.72 | ICHIMARU, Yoshimi; JIN, Wanchun; YAMAGUCHI, Yoshihiro; SUGIURA, Kirara; IMAI, Masanori; KUROSAKI, Hiromasa; FUJIOKA, Haruto; KOIKE, Tohru; HIEDA, Yuhzo; KATO, Koichi Crystal Structure of [1<sup>1</sup>,1<sup>4</sup>,1<sup>7</sup>,1<sup>10</sup>,5<sup>1</sup>,5<sup>4</sup>,5<sup>7</sup>,5<sup>10</sup>-Octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II) tetrakis(nitrate), [<i>m,m</i>-bis(Zn<sup>II</sup>-cyclen)](NO<sub>3</sub>)<sub>4</sub> X-ray Structure Analysis Online, 2021, 37, 15-16 |
| 1563323 | CIF | C16 H18 Cl N O3.25 Os | P 31 2 1 | 12.3794; 12.3794; 17.8331 90; 90; 120 | 2366.77 | Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells Chemical Science, 2021 |
| 1566003 | CIF | C32.5 H58.5 B1.5 Na Nd O8 | P 31 2 1 | 13.8957; 13.8957; 34.124 90; 90; 120 | 5706.3 | Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta, 2022, 529, 120638 |
| 1566427 | CIF | C30 H29 N O S | P 31 2 1 | 10.0094; 10.0094; 42.946 90; 90; 120 | 3726.2 | Zhang, Qiu-Chi; Xue, Xiaoping; Hong, Biqiong; Gu, Zhenhua Torsional Strain Inversed Chemoselectivity in Pd-Catalyzed Atroposelective Carboxylation Reaction of Dibenzothiophenium Chemical Science, 2022 |
| 1567635 | CIF | C24.24 H31.47 N3.18 O7.38 Zn2 | P 31 2 1 | 21.5982; 21.5982; 6.9071 90; 90; 120 | 2790.4 | Siegelman, Rebecca L.; Thompson, Joshua A.; Mason, Jarad; McDonald, Thomas M.; Long, Jeffrey R. A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas Chemical Science, 2022 |
| 1568325 | CIF | C8 H44 B40 Cu4 S4 | P 31 2 1 | 11.4344; 11.4344; 29.4398 90; 90; 120 | 3333.4 | Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence. Chemical science, 2023, 14, 1613-1626 |
| 1570278 | CIF | C42 H62 O6.5 | P 31 2 1 | 7.761; 7.761; 56.211 90; 90; 120 | 2932.16 | Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta Crystal Structure and Intermolecular Energy for Some Nandrolone Esters. Molecules (Basel, Switzerland), 2023, 28, 7179 |
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