Crystallography Open Database
Search results
Result: there are 782 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 space group like 'P a -3'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1542527 | CIF | C72 H45 Ir N3 | P a -3 | 22.825; 22.825; 22.825 90; 90; 90 | 11891 | Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis Polym. Chem., 2016, 7, 2299 |
| 1543033 | CIF | C69 H45 Ir N6 | P a -3 | 22.825; 22.825; 22.825 90; 90; 90 | 11891 | Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis Polym. Chem., 2016, 7, 2299 |
| 1544738 | CIF | Ni S2 | P a -3 | 5.6845; 5.6845; 5.6845 90; 90; 90 | 183.69 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 1 atm Mineralogical Journal, 1987, 13, 448-454 |
| 1544739 | CIF | Ni S2 | P a -3 | 5.6196; 5.6196; 5.6196 90; 90; 90 | 177.47 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 32 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 1544740 | CIF | Ni S2 | P a -3 | 5.5852; 5.5852; 5.5852 90; 90; 90 | 174.23 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 49 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 1544741 | CIF | Ni S2 | P a -3 | 5.5745; 5.5745; 5.5745 90; 90; 90 | 173.23 | Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 54 kbar Mineralogical Journal, 1987, 13, 448-454 |
| 1544891 | CIF | Fe S2 | P a -3 | 5.417; 5.417; 5.417 90; 90; 90 | 158.956 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 1 atm Mineralogical Journal, 1986, 13, 202-211 |
| 1544892 | CIF | Fe S2 | P a -3 | 5.3825; 5.3825; 5.3825 90; 90; 90 | 155.94 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 3.1 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1544893 | CIF | Fe S2 | P a -3 | 5.3702; 5.3702; 5.3702 90; 90; 90 | 154.87 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 4.2 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1544894 | CIF | Co S2 | P a -3 | 5.5348; 5.5348; 5.5348 90; 90; 90 | 169.55 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1 atm Mineralogical Journal, 1986, 13, 202-211 |
| 1544895 | CIF | Co S2 | P a -3 | 5.5068; 5.5068; 5.5068 90; 90; 90 | 166.993 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1.9 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1544896 | CIF | Co S2 | P a -3 | 5.4799; 5.4799; 5.4799 90; 90; 90 | 164.56 | Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 3.6 GPa Mineralogical Journal, 1986, 13, 202-211 |
| 1545312 | CIF | C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 | P a -3 | 26.2758; 26.2758; 26.2758 90; 90; 90 | 18141.3 | Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R. Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes Faraday Discuss., 2017 |
| 1548093 | CIF | C52.5 H116.5 N5 O6 Rb Si3 U | P a -3 | 23.7586; 23.7586; 23.7586 90; 90; 90 | 13411 | David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications, 2016, 7, 13773 |
| 1548786 | CIF HKL Paper | C12 H20 Cd Cu2 N8 | P a -3 | 12.3775; 12.3775; 12.3775 90; 90; 90 | 1896.3 | Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]] IUCrData, 2017, 2, x171771 |
| 1556853 | CIF | C174 H186 Ag6 Cl6 N6 O30 S12 | P a -3 | 25.8366; 25.8366; 25.8366 90; 90; 90 | 17246.7 | Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676 |
| 1557532 | CIF | C30 Al2 F55 Mo O12 | P a -3 | 17.285; 17.285; 17.285 90; 90; 90 | 5164.3 | Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603 |
| 1557534 | CIF | C30 Al2 F55 O12 W | P a -3 | 17.3168; 17.3168; 17.3168 90; 90; 90 | 5192.82 | Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603 |
| 1557626 | CIF | C21 H9 N3 O6 Ti | P a -3 | 20.9953; 20.9953; 20.9953 90; 90; 90 | 9254.8 | Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science, 2020, 11, 3978-3985 |
| 1557627 | CIF | C3.5 H1.5 N0.5 O Ti0.17 | P a -3 | 21.1222; 21.1222; 21.1222 90; 90; 90 | 9423.6 | Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science, 2020, 11, 3978-3985 |
| 1557628 | CIF | C H N O Ti | P a -3 | 21.1205; 21.1205; 21.1205 90; 90; 90 | 9421.3 | Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science, 2020, 11, 3978-3985 |
| 1561522 | CIF | Ge In K S4 | P a -3 | 13.0366; 13.0366; 13.0366 90; 90; 90 | 2215.61 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1561523 | CIF | Ge In Rb S4 | P a -3 | 13.1865; 13.1865; 13.1865 90; 90; 90 | 2292.9 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1561524 | CIF | Cs Ge In S4 | P a -3 | 13.3832; 13.3832; 13.3832 90; 90; 90 | 2397.07 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1561525 | CIF | Ge In S4 Tl | P a -3 | 12.997; 12.997; 12.997 90; 90; 90 | 2195.5 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1561532 | CIF | In Rb S4 Sn | P a -3 | 13.4729; 13.4729; 13.4729 90; 90; 90 | 2445.59 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1561533 | CIF | Cs In S4 Sn | P a -3 | 13.6808; 13.6808; 13.6808 90; 90; 90 | 2560.56 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1564890 | CIF | Fe S2 | P a -3 | 5.41027; 5.41027; 5.41027 90; 90; 90 | 158.364 | Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O. Synthetic control over polymorph formation in the d-band semiconductor system FeS2 Chemical Science, 2021 |
| 1565353 | CIF | C18 H51 Na5 O39.5 Ti | P a -3 | 20.476; 20.476; 20.476 90; 90; 90 | 8584.9 | Engelberg, Nathan; Bino, Avi; Tshuva, Edit Y. Preparation, structural characterization and cytotoxicity of hydrolytically stable Ti(IV) citrate complexes Inorganica Chimica Acta, 2020, 503, 119429 |
| 1568752 | CIF | C324 H228 Ag16 As8 O26 | P a -3 | 31.0591; 31.0591; 31.0591 90; 90; 90 | 29961.7 | Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance. Nanoscale, 2023, 15, 8245-8254 |
| 1568753 | CIF | C324 H228 Ag16 O26 P8 | P a -3 | 30.8121; 30.8121; 30.8121 90; 90; 90 | 29252.6 | Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance. Nanoscale, 2023, 15, 8245-8254 |
| 1571734 | CIF | C40 H60 Os4 U | P a -3 | 21.395; 21.395; 21.395 90; 90; 90 | 9793.5 | Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes. Chemical science, 2024, 15, 9784-9792 |
| 1573037 | CIF | C67 H99 F12 N29 O14 P2 | P a -3 | 36.765; 36.765; 36.765 90; 90; 90 | 49694 | Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal. Chemical science, 2024, 16, 83-89 |
| 1573038 | CIF | C67 H98 F12 N29 O14.5 P2 | P a -3 | 36.79372; 36.79372; 36.79372 90; 90; 90 | 49810.5 | Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal. Chemical science, 2024, 16, 83-89 |
| 1573736 | CIF | C124 H178.5 Cu6 N18.5 O10.5 S4 | P a -3 | 30.937; 30.937; 30.937 90; 90; 90 | 29609.7 | Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science, 2025, 16, 2600-2608 |
| 1574747 | CIF | C320 H480 Au Cu56 O36 S44 | P a -3 | 33.347; 33.347; 33.347 90; 90; 90 | 37082.6 | Gratious, Saniya; Li, Bo; Mondal, Dipanjana; Kumar, Alok; Varghese, Dayona Aleyamma; Thomas, Jibin; Jiang, De-en; Kamble, Vinayak; Mandal, Sukhendu Identifying the superatomic AuCu56 nanocluster through a ligand-exchange coupled metal-exchange induced transformation Chemical Science, 2025, 16, 11849-11857 |
| 1575140 | CIF | C45 H48 Cu7 N O6 | P a -3 | 26.729; 26.729; 26.729 90; 90; 90 | 19096 | Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing <i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties. Chemical communications (Cambridge, England), 2025, 61, 12781-12784 |
| 1576201 | CIF | C69 H54 Co N9 O6 | P a -3 | 23.5997; 23.5997; 23.5997 90; 90; 90 | 13143.8 | Schomberg-Sanchez, Isaac S.; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martin A.; Lemon, Christopher M. Hangman Dipyrrin Complexes Chemical Science, 2025 |
| 1576247 | CIF | C6 H14 Cl3 N2.72 Na0.28 O12 | P a -3 | 14.3319; 14.3319; 14.3319 90; 90; 90 | 2943.82 | Li, Min; Han, Dandan; Lin, Zheng; Qi, Xiujuan; Xia, Honglei; Wang, Zhao; Zhang, Qinghua; Gong, Junbo Controllable Synthesis of Perovskite Solid Solutions as New-Concept Energetic Materials via Thermodynamic Equilibrium Chemical Science, 2025 |
| 1576248 | CIF | C2 H5.88 Ag0.03 Cl N0.97 O4 | P a -3 | 14.3168; 14.3168; 14.3168 90; 90; 90 | 2934.53 | Li, Min; Han, Dandan; Lin, Zheng; Qi, Xiujuan; Xia, Honglei; Wang, Zhao; Zhang, Qinghua; Gong, Junbo Controllable Synthesis of Perovskite Solid Solutions as New-Concept Energetic Materials via Thermodynamic Equilibrium Chemical Science, 2025 |
| 2000204 | CIF Paper | Br2 Cu H12 O12 | P a -3 | 10.324; 10.324; 10.324 90; 90; 90 | 1100.38 | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. Structure of hexaaquacopper(II) bromate Acta Crystallographica Section C, 1991, 47, 2019-2023 |
| 2000244 | CIF Paper | Br2 H12 Ni O12 | P a -3 | 10.2987; 10.2987; 10.2987 90; 90; 90 | 1092.31 | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. Structure of hexaaquanickel(II) bromate Acta Crystallographica Section C, 1991, 47, 1786-1789 |
| 2000675 | CIF Paper | C7 H11 Cl N Nd O12 | P a -3 | 20.435; 20.435; 20.435 90; 90; 90 | 8533 | Starynowicz, P. Structure of tetraaqua(2,6-pyridinedicarboxylato)neodymium perchlorate Acta Crystallographica Section C, 1992, 48, 1428-1430 |
| 2000944 | CIF Paper | Li7 N4 Nb | P a -3 | 9.829; 9.829; 9.829 90; 90; 90 | 949.6 | Vennos, D. A.; DiSalvo, F. J. Structure of lithium niobium nitride Acta Crystallographica Section C, 1992, 48, 610-612 |
| 2000991 | CIF Paper | Al2 O6 Sr3 | P a -3 | 15.8556; 15.8556; 15.8556 90; 90; 90 | 3986.1 | Chakoumakos, B. C.; Lager, G. A.; Fernandez-Baca, J. A. Refinement of the structures of Sr~3~Al~2~O~6~ and the hydrogarnet Sr~3~Al~2~(O~4~D~4~)~3~ by Rietveld analysis of neutron powder diffraction data Acta Crystallographica Section C, 1992, 48, 414-419 |
| 2001527 | CIF Paper | C3 H12 F6 Ga N9 | P a -3 | 14.073; 14.073; 14.073 90; 90; 90 | 2787.1 | Małuszyńska, H. Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~ Acta Crystallographica Section C, 1993, 49, 1335-1336 |
| 2001612 | CIF Paper | C36 H15 Au O18 P Rh3 Ru3 | P a -3 | 20.647; 20.647; 20.647 90; 90; 90 | 8802 | Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J. Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II) Acta Crystallographica Section C, 1993, 49, 1142-1146 |
| 2002275 | CIF | Al8 O21 Pb9 | P a -3 | 13.26; 13.26; 13.26 90; 90; 90 | 2331.5 | Ploetz, K B; Mueller-Buschbaum, Hk Zur Kenntnis von Pb9 Al8 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1981, 480, 149-152 |
| 2002290 | CIF | Al8 O21 Pb8.6 Sr0.4 | P a -3 | 13.263; 13.263; 13.263 90; 90; 90 | 2333.1 | Ploetz, K B; Mueller-Buschbaum, Hk Zur Kristallchemie der Oxoplumbate(II),IV Einbau von Sr(II) in Pb9 Al8 O21 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1982, 37, 108-109 |
| 2002293 | CIF | Ga8 O21 Pb9 | P a -3 | 13.44; 13.44; 13.44 90; 90; 90 | 2427.7 | Ploetz, K B; Mueller-Buschbaum, Hk Zur Kristallchemie der Oxoplumbate(II). II. Synthese und Aufbau von Pb9 Ga8 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1982, 484, 153-157 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!