Crystallography Open Database
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Searching space group like 'I 4 2 2'
COD ID: 1502564 | |
CIF file | Formula: - C108 H104 Cl2 N2 O2 P2 Pd2 - Comments: Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones. Organic letters 13(21) (2011) 5862-5865 Space group: I 4 2 2 Cell volume: 60728 Cell parameters: 39.8657; 39.8657; 38.2114; 90; 90; 90; |
COD ID: 1528520 | |
CIF file | Formula: - Ag2 H16 I4 O8 Sr - Comments: Geller, S.; Dudley, T.O. The Crystal Structure of Strontium Tetraiododiargentate Octahydrate, Sr Ag2 I4 (H2 O)8 Journal of Solid State Chemistry 26 (1978) 321-328 Space group: I 4 2 2 Cell volume: 919.511 Cell parameters: 12.86; 12.86; 5.56; 90; 90; 90; |
COD ID: 1539547 | |
CIF file | Formula: - Ca2 O20 Si8 Th - Comments: Szymanski, J.T.; Owens, D.R.; Chao, G.Y.; Roberts, A.C.; Ansell, H.G. A mineralogical study and cristal-structure determination of nonmetamicht ekanite, Th Ca2 Si8 O20 Canadian Mineralogist 20 (1982) 65-75 Space group: I 4 2 2 Cell volume: 833.938 Cell parameters: 7.483; 7.483; 14.893; 90; 90; 90; |
COD ID: 1548200 | |
CIF file | Formula: - C512 H320 N120 O8 Pd6 Ru8 - Comments: Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications 7 (2016) 10487 Space group: I 4 2 2 Cell volume: 39760.4 Cell parameters: 32.2284; 32.2284; 38.2801; 90; 90; 90; |
COD ID: 1548201 | |
CIF file | Formula: - C512 H320 N120 O8 Pd6 Ru8 - Comments: Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules Nature Communications 7 (2016) 10487 Space group: I 4 2 2 Cell volume: 41086.1 Cell parameters: 32.5722; 32.5722; 38.7258; 90; 90; 90; |
COD ID: 1556601 | |
CIF file | Formula: - C56 H80 N32 S8 Zn4 - Comments: Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A. [2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands Inorganics 6 (2018) 51 Space group: I 4 2 2 Cell volume: 7938.8 Cell parameters: 19.78; 19.78; 20.291; 90; 90; 90; |
COD ID: 1556602 | |
CIF file | Formula: - C80 H64 N32 S8 Zn4 - Comments: Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A. [2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands Inorganics 6 (2018) 51 Space group: I 4 2 2 Cell volume: 7770.4 Cell parameters: 19.0949; 19.0949; 21.3112; 90; 90; 90; |
COD ID: 1556603 | |
CIF file | Formula: - C48 H64 N32 Ni4 O S8 - Comments: Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A. [2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands Inorganics 6 (2018) 51 Space group: I 4 2 2 Cell volume: 7704.5 Cell parameters: 20.065; 20.065; 19.1367; 90; 90; 90; |
COD ID: 1556604 | |
CIF file | Formula: - C40 H48 N32 Ni4 S8 - Comments: Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A. [2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands Inorganics 6 (2018) 51 Space group: I 4 2 2 Cell volume: 6592.1 Cell parameters: 18.8863; 18.8863; 18.4813; 90; 90; 90; |
COD ID: 1556605 | |
CIF file | Formula: - C56 H80 N32 Ni4 S8 - Comments: Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A. [2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands Inorganics 6 (2018) 51 Space group: I 4 2 2 Cell volume: 8081.7 Cell parameters: 20.4341; 20.4341; 19.355; 90; 90; 90; |
COD ID: 1558403 | |
CIF file | Formula: - C144 H168 Br8 Cl6 Mo6 Na4 O138 - Comments: Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix Materials Horizons 7(9) (2020) 2399-2406 Space group: I 4 2 2 Cell volume: 31946 Cell parameters: 23.715; 23.715; 56.802; 90; 90; 90; |
COD ID: 1558404 | |
CIF file | Formula: - C144 H168 Cl6 I8 Mo6 O138 - Comments: Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix Materials Horizons 7(9) (2020) 2399-2406 Space group: I 4 2 2 Cell volume: 32466 Cell parameters: 23.7708; 23.7708; 57.456; 90; 90; 90; |
COD ID: 1568595 | |
CIF file | Formula: - C192 H224 Cl42 O189.6 W18 - Comments: Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A. Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs Inorganics 11(2) (2023) 77 Space group: I 4 2 2 Cell volume: 43837.5 Cell parameters: 35.7254; 35.7254; 34.3472; 90; 90; 90; |
COD ID: 1568929 | |
CIF file | Formula: - C96 H80 Al8 N32 O40 - Comments: Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian Accurate binding of porous aluminum molecular ring catalysts with the substrate. Chemical science 14(20) (2023) 5396-5404 Space group: I 4 2 2 Cell volume: 7877.3 Cell parameters: 23.0719; 23.0719; 14.7983; 90; 90; 90; |
COD ID: 1568930 | |
CIF file | Formula: - C124 H100 Al8 N32 O44 - Comments: Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian Accurate binding of porous aluminum molecular ring catalysts with the substrate. Chemical science 14(20) (2023) 5396-5404 Space group: I 4 2 2 Cell volume: 7784.6 Cell parameters: 22.85; 22.85; 14.9095; 90; 90; 90; |
COD ID: 1570455 | |
CIF file | Formula: - C96 H118 Cl O16 Ti4 - Comments: Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science 14(48) (2023) 14280-14289 Space group: I 4 2 2 Cell volume: 28481 Cell parameters: 38.021; 38.021; 19.702; 90; 90; 90; |
COD ID: 1570676 | |
CIF file | Formula: - C4 O - Comments: Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science 14(45) (2023) 12984-12994 Space group: I 4 2 2 Cell volume: 11.035 Cell parameters: 2.12045; 2.12045; 2.45424; 90; 90; 90; |
COD ID: 1570687 | |
CIF file | Formula: - C4 N2 O - Comments: Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science 14(45) (2023) 12984-12994 Space group: I 4 2 2 Cell volume: 12.208 Cell parameters: 2.37485; 2.37485; 2.16458; 90; 90; 90; |
COD ID: 2021860 | |
CIF file | Formula: - C H6 I3 N Ne0.973 Pb - Comments: Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75(3) (2019) 361 Space group: I 4 2 2 Cell volume: 998.34 Cell parameters: 8.876; 8.876; 12.672; 90; 90; 90; |
COD ID: 2107954 | |
CIF file | Formula: - C H6 I3 N Pb - Comments: Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions Acta Crystallographica Section B 72(5) (2016) 716-722 Space group: I 4 2 2 Cell volume: 1002.38 Cell parameters: 8.88375; 8.88375; 12.701; 90; 90; 90; |
COD ID: 2108657 | |
CIF file | Formula: - C260 H264 N24 O40 - Comments: Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR Acta Crystallographica Section B 76(5) (2020) Space group: I 4 2 2 Cell volume: 12212 Cell parameters: 21.91; 21.91; 25.44; 90; 90; 90; |
COD ID: 4002356 | |
CIF file | Formula: - Fe0.711 Sn2.31 Zr5 - Comments: Kwon Young-Uk; Sevov, S.C.; Corbett, J.D. Substituted W5 Si3- and Zr6 Al2 Co-phases formed in the zirconium-antimony and zirconium-tin systems with iron group metals Chemistry of Materials (1,1989-) 2 (1990) 550-556 Space group: I 4 2 2 Cell volume: 684.43 Cell parameters: 11.1763; 11.1763; 5.4794; 90; 90; 90; |
COD ID: 4033255 | |
CIF file | Formula: - C60 H80 N4 O17 Rh2 - Comments: O'Brien, Jessica G K; Chintala, Srinivasa R.; Fox, Joseph M. Stereoselective Synthesis of Bicyclo[6.1.0]nonene Precursors of the Bioorthogonal Reagents s-TCO and BCN. The Journal of organic chemistry (2017) Space group: I 4 2 2 Cell volume: 6860.5 Cell parameters: 13.0141; 13.0141; 40.507; 90; 90; 90; |
COD ID: 4109792 | |
CIF file | Formula: - C304 H216 Cu24 O144 S8 - Comments: John J. Perry; Victor Ch. Kravtsov; Gregory J. McManus; Michael J. Zaworotko Bottom up Synthesis That Does Not Start at the Bottom: Quadruple Covalent Cross-Linking of Nanoscale Faceted Polyhedra Journal of the American Chemical Society 129 (2007) 10076-10077 Space group: I 4 2 2 Cell volume: 23616 Cell parameters: 28.885; 28.885; 28.305; 90; 90; 90; |
COD ID: 4126341 | |
CIF file | Formula: - C96 H200 Br14 O100 Ta6 - Comments: Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials. Journal of the American Chemical Society (2017) Space group: I 4 2 2 Cell volume: 19886.1 Cell parameters: 23.8984; 23.8984; 34.8186; 90; 90; 90; |
COD ID: 4133559 | |
CIF file | Formula: - C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 - Comments: Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation. Journal of the American Chemical Society 140(51) (2018) 18183-18191 Space group: I 4 2 2 Cell volume: 39927.9 Cell parameters: 32.5147; 32.5147; 37.7674; 90; 90; 90; |
COD ID: 4133560 | |
CIF file | Formula: - C488 H303.2 Fe8 N120 O5.6 Pd6 - Comments: Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation. Journal of the American Chemical Society 140(51) (2018) 18183-18191 Space group: I 4 2 2 Cell volume: 39267 Cell parameters: 32.3616; 32.3616; 37.4948; 90; 90; 90; |
COD ID: 4133834 | |
CIF file | Formula: - C28 H52 Eu N12 O28 Rb - Comments: Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics. Journal of the American Chemical Society (2019) Space group: I 4 2 2 Cell volume: 1201.88 Cell parameters: 7.053; 7.053; 24.161; 90; 90; 90; |
COD ID: 4133837 | |
CIF file | Formula: - C28 H52 N12 O28 Rb Sm - Comments: Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics. Journal of the American Chemical Society (2019) Space group: I 4 2 2 Cell volume: 1212.56 Cell parameters: 7.0629; 7.0629; 24.3073; 90; 90; 90; |
COD ID: 4133855 | |
CIF file | Formula: - C28 H52 Ce N12 O28 Rb - Comments: Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics. Journal of the American Chemical Society (2019) Space group: I 4 2 2 Cell volume: 1221.49 Cell parameters: 7.0884; 7.0884; 24.3105; 90; 90; 90; |
COD ID: 4134801 | |
CIF file | Formula: - C35 H44 B20 Cu2 N O9 - Comments: Gan, Lei; Chidambaram, Arunraj; Fonquernie, Pol G.; Light, Mark E.; Choquesillo-Lazarte, Duane; Huang, Hongliang; Solano, Eduardo; Fraile, Julio; Viñas, Clara; Teixidor, Francesc; Navarro, Jorge A. R.; Stylianou, Kyriakos C.; Planas, José G. A Highly Water-Stable meta-Carborane-Based Copper Metal‒Organic Framework for Efficient High-Temperature Butanol Separation Journal of the American Chemical Society (2020) Space group: I 4 2 2 Cell volume: 11532.1 Cell parameters: 20.9233; 20.9233; 26.342; 90; 90; 90; |
COD ID: 4304741 | |
CIF file | Formula: - C40 H56 Cu4 N16 Pt2 - Comments: Keisuke Umakoshi; Takashi Kojima; Keizo Saito; Seiji Akatsu; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshiki Ozawa Heteropolynuclear Complexes of 3,5-Dimethylpyrazolate [Pt2M4(Me2pz)8] (M = Ag, Cu). Highly Luminescent Character of the Triplet Excited State Based on Mixed-Metal Cores Inorganic Chemistry 47 (2008) 5033-5035 Space group: I 4 2 2 Cell volume: 2490.5 Cell parameters: 13.4338; 13.4338; 13.8003; 90; 90; 90; |
COD ID: 4312052 | |
CIF file | Formula: - C44 H68 Cl2 N8 O4 Re2 - Comments: Michael Q. Dequeant; Patricia M. Bradley; Guo-Lin Xu; Daniel A. Lutterman; Claudia Turro; Tong Ren Dirhenium Paddlewheel Compounds Supported by N,N'-Dialkylbenzamidinates: Synthesis, Structures, and Photophysical Properties Inorganic Chemistry 43 (2004) 7887-7892 Space group: I 4 2 2 Cell volume: 2519.3 Cell parameters: 14.4466; 14.4466; 12.0711; 90; 90; 90; |
COD ID: 4318162 | |
CIF file | Formula: - C44 H44 Cl2 N8 O4 Ru2 - Comments: Guolin Xu; Charles Campana; Tong Ren Tetrakis(N,N'-dimethylbenzamidinato)diruthenium(III) Compounds Bearing Axial Chloro and Alkynyl Ligands: A New Family of Redox Rich Diruthenium Compounds Inorganic Chemistry 41 (2002) 3521-3527 Space group: I 4 2 2 Cell volume: 2366.3 Cell parameters: 14.07; 14.07; 11.953; 90; 90; 90; |
COD ID: 4321041 | |
CIF file | Formula: - C28 H48 Cl2 N12 Pt2 - Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; James P. Donahue; Carlos A. Murillo; Daren J. Timmons Completion of the Series of M2(hpp)4Cl2 Compounds from W to Pt: The W, Os, and Pt Compounds Inorganic Chemistry 39 (2000) 2581-2584 Space group: I 4 2 2 Cell volume: 1609.27 Cell parameters: 10.4935; 10.4935; 14.6146; 90; 90; 90; |
COD ID: 4325161 | |
CIF file | Formula: - C108 H139.52 F12 N20 Na O25.76 P2 Ru4 S4 - Comments: Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties Inorganic Chemistry 50 (2011) 4764-4771 Space group: I 4 2 2 Cell volume: 13173 Cell parameters: 17.0154; 17.0154; 45.5; 90; 90; 90; |
COD ID: 4336797 | |
CIF file | Formula: - C240 H208 Eu9 O58 - Comments: Bin Zhang; Ting Xiao; Chunmei Liu; Qian Li; Yanyan Zhu; Mingsheng Tang; Chenxia Du; Maoping Song Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters with Modified 2-Hydroxybenzophenone Ligands Inorganic Chemistry 52 (2013) 13332-13340 Space group: I 4 2 2 Cell volume: 11644 Cell parameters: 19.265; 19.265; 31.373; 90; 90; 90; |
COD ID: 4518319 | |
CIF file | Formula: - C14 H8 O6 Ti - Comments: Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs ACS Materials Letters (2020) 64-68 Space group: I 4 2 2 Cell volume: 6605.77 Cell parameters: 16.6433; 16.6433; 23.8476; 90; 90; 90; |
COD ID: 4518320 | |
CIF file | Formula: - C14 H8 O7 S Ti - Comments: Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs ACS Materials Letters (2020) 64-68 Space group: I 4 2 2 Cell volume: 7673.9 Cell parameters: 18.7537; 18.7537; 21.8194; 90; 90; 90; |
COD ID: 7000973 | |
CIF file | Formula: - C52 H80 Au2 Cl2 N16 O6 S12 - Comments: Castiñeiras, Alfonso; Dehnen, Stefanie; Fuchs, Andreas; García-Santos, Isabel; Sevillano, Paloma Stabilization of gold(I) and gold(III) complexes by pyridil bis{3-hexamethylene-iminylthiosemicarbazone}: spectroscopic, structural and computational study Dalton Transactions (issue 15) (2009) 2731-2739 Space group: I 4 2 2 Cell volume: 7183.1 Cell parameters: 14.8119; 14.8119; 32.741; 90; 90; 90; |
COD ID: 7013622 | |
CIF file | Formula: - C55 H97 K O16 Ti - Comments: Petrella, Antonella J.; Craig, Donald C.; Lamb, Robert N.; Raston, Colin L.; Roberts, Nicholas K. A facile route to hetero-bimetallic Ti(iv)-alkali metal calix[4]arene complexes Dalton Transactions (issue 24) (2003) 4590 Space group: I 4 2 2 Cell volume: 6517 Cell parameters: 15.558; 15.558; 26.922; 90; 90; 90; |
COD ID: 7017295 | |
CIF file | Formula: - C40 H40 Ca Cl8 N2 O16 Sn - Comments: Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure. Dalton transactions (Cambridge, England : 2003) 40(45) (2011) 12242-12247 Space group: I 4 2 2 Cell volume: 2852.52 Cell parameters: 11.9264; 11.9264; 20.0544; 90; 90; 90; |
COD ID: 7017296 | |
CIF file | Formula: - C42 H40 Ca Cl8 N2 O16 S4 Sn - Comments: Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure. Dalton transactions (Cambridge, England : 2003) 40(45) (2011) 12242-12247 Space group: I 4 2 2 Cell volume: 2914.43 Cell parameters: 11.9699; 11.9699; 20.341; 90; 90; 90; |
COD ID: 7017297 | |
CIF file | Formula: - C44 H47 Ca Cl8 N4 O16.5 Sn - Comments: Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure. Dalton transactions (Cambridge, England : 2003) 40(45) (2011) 12242-12247 Space group: I 4 2 2 Cell volume: 2887.01 Cell parameters: 11.9523; 11.9523; 20.209; 90; 90; 90; |
COD ID: 7017298 | |
CIF file | Formula: - C46 H56 Ca Cl8 N2 O20 Sn - Comments: Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure. Dalton transactions (Cambridge, England : 2003) 40(45) (2011) 12242-12247 Space group: I 4 2 2 Cell volume: 2978.74 Cell parameters: 11.9869; 11.9869; 20.7309; 90; 90; 90; |
COD ID: 7021757 | |
CIF file | Formula: - C30 H30 Cu F12 N6 P2 - Comments: Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state. Dalton transactions (Cambridge, England : 2003) 42(31) (2013) 11100-11110 Space group: I 4 2 2 Cell volume: 1753.9 Cell parameters: 11.2091; 11.2091; 13.959; 90; 90; 90; |
COD ID: 7051328 | |
CIF file | Formula: - C8 H16 Fe2 Mo N8 O8 - Comments: Amandeep K. Sra; Guillaume Rombaut; Frédéric Lahitête; Stéphane Golhen; Lahcène Ouahab; Corine Mathonière; J. V. Yakhmi; (the late) Olivier Kahn Hepta/octa cyanomolybdates with Fe2+: influence of the valence state of Mo on the magnetic behavior New J. Chem. 24(11) (2000) 871-876 Space group: I 4 2 2 Cell volume: 1827.9 Cell parameters: 11.809; 11.809; 13.108; 90; 90; 90; |
COD ID: 7117182 | |
CIF file | Formula: - C15 H29 Cu4 I4 N4 - Comments: Yao Kang; Wei-Hui Fang; Lei Zhang; Jian Zhang A structure-directing method to prepare semiconductive zeolitic cluster-organic frameworks with Cu3I4 building units Chem.Commun. 51 (2015) 8994 Space group: I 4 2 2 Cell volume: 12372.1 Cell parameters: 18.5097; 18.5097; 36.1113; 90; 90; 90; |
COD ID: 7123917 | |
CIF file | Formula: - C150 H156 N6 O146 Re6 Se8 - Comments: Ivanov, Anton A.; Falaise, Clément; Landy, David; Haouas, Mohamed; Mironov, Yuri V.; Shestopalov, Michael A.; Cadot, Emmanuel Tuning the chaotropic effect as an assembly motif through one-electron transfer in rhenium cluster Chemical Communications (2019) Space group: I 4 2 2 Cell volume: 32407 Cell parameters: 23.8167; 23.8167; 57.132; 90; 90; 90; |
COD ID: 7131970 | |
CIF file | Formula: - C16 Bi1.33 I12 N8 - Comments: Peng, Hang; Liu, Qin; Lu, Yan-Zi; Yang, Shu-Jing; Qi, Jun-Chao; Chen, Xiao-Gang; Liao, Wei-Qiang A chiral two-dimensional perovskite-like lead-free bismuth(III) iodide hybrid with high phase transition temperature. Chemical communications (Cambridge, England) (2023) Space group: I 4 2 2 Cell volume: 1236.3 Cell parameters: 7.135; 7.135; 24.284; 90; 90; 90; |
COD ID: 7150104 | |
CIF file | Formula: - C104 H83 Na8 O63 S8 - Comments: Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald Mutual induced fit in cyclodextrin-rocuronium complexes. Organic & biomolecular chemistry 3(10) (2005) 1863-1871 Space group: I 4 2 2 Cell volume: 17076 Cell parameters: 23.135; 23.135; 31.904; 90; 90; 90; |
COD ID: 7227200 | |
CIF file | Formula: - C54 H52 B2 Cu F7.97 N4 O4 - Comments: Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius Coordination polymers constructed from tetrahedral-shaped adamantane tectons CrystEngComm 19(1) (2017) 27 Space group: I 4 2 2 Cell volume: 5360.6 Cell parameters: 12.8199; 12.8199; 32.617; 90; 90; 90; |
COD ID: 7236798 | |
CIF file | Formula: - C128 H208 Co4 N40 O76 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10661 Cell parameters: 24.556; 24.556; 17.68; 90; 90; 90; |
COD ID: 7236799 | |
CIF file | Formula: - C128 H206 Co4 Cs N41 O78 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10640 Cell parameters: 24.58; 24.58; 17.611; 90; 90; 90; |
COD ID: 7236800 | |
CIF file | Formula: - C128 H204 N40 Ni4 O74 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10962.3 Cell parameters: 24.81; 24.81; 17.8094; 90; 90; 90; |
COD ID: 7236801 | |
CIF file | Formula: - C128 H202.5 Co4 N40.25 Na0.25 O74 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10622 Cell parameters: 24.524; 24.524; 17.661; 90; 90; 90; |
COD ID: 7236802 | |
CIF file | Formula: - C128 H186 K N41 Ni4 O68 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10417 Cell parameters: 24.382; 24.382; 17.522; 90; 90; 90; |
COD ID: 7236803 | |
CIF file | Formula: - C128 H194 N41 Ni4 O72 P8 Rb - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10685 Cell parameters: 24.57; 24.57; 17.699; 90; 90; 90; |
COD ID: 7236804 | |
CIF file | Formula: - C128 H189.5 N40.25 Na0.25 Ni4 O67.5 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10463 Cell parameters: 24.399; 24.399; 17.576; 90; 90; 90; |
COD ID: 7236805 | |
CIF file | Formula: - C128 H198 Co4 K N41 O74 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10475 Cell parameters: 24.404; 24.404; 17.589; 90; 90; 90; |
COD ID: 7236806 | |
CIF file | Formula: - C128 H200 Co4 Li N41 O75 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10640 Cell parameters: 24.507; 24.507; 17.716; 90; 90; 90; |
COD ID: 7236807 | |
CIF file | Formula: - C128 H183 Li N41 Ni4 O66.5 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10338 Cell parameters: 24.222; 24.222; 17.62; 90; 90; 90; |
COD ID: 7236808 | |
CIF file | Formula: - C128 H208 Co4 N41 O79 P8 Rb - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10800 Cell parameters: 24.651; 24.651; 17.773; 90; 90; 90; |
COD ID: 7236809 | |
CIF file | Formula: - C128 H190 Cs N41 Ni4 O70 P8 - Comments: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations Journal of Materials Chemistry C 5(29) (2017) 7352 Space group: I 4 2 2 Cell volume: 10536 Cell parameters: 24.462; 24.462; 17.608; 90; 90; 90; |
COD ID: 7239719 | |
CIF file | Formula: - C48 H32 Gd12 N16 O64 - Comments: Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms CrystEngComm 22(5) (2020) 915-923 Space group: I 4 2 2 Cell volume: 7331.6 Cell parameters: 18.4916; 18.4916; 21.4412; 90; 90; 90; |
COD ID: 7248315 | |
CIF file | Formula: - C50.27 H46.27 N2 O2 - Comments: de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom Using the nature of the achiral solvent to orient chiral resolution CrystEngComm 26(15) (2024) 2056-2059 Space group: I 4 2 2 Cell volume: 8506.1 Cell parameters: 23.5398; 23.5398; 15.3506; 90; 90; 90; |
COD ID: 7703729 | |
CIF file | Formula: - C432 H480 F0 Fe8 N72 O48 S0 - Comments: Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo Supramolecular assemblies based on Fe<sub>8</sub>L<sub>12</sub> cubic metal-organic cages: synergistic adsorption and spin-crossover properties. Dalton transactions (Cambridge, England : 2003) 49(14) (2020) 4220-4224 Space group: I 4 2 2 Cell volume: 31491 Cell parameters: 34.9266; 34.9266; 25.815; 90; 90; 90; |
COD ID: 7703730 | |
CIF file | Formula: - C448 H504 F12 Fe8 N72 O60 S4 - Comments: Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo Supramolecular assemblies based on Fe<sub>8</sub>L<sub>12</sub> cubic metal-organic cages: synergistic adsorption and spin-crossover properties. Dalton transactions (Cambridge, England : 2003) 49(14) (2020) 4220-4224 Space group: I 4 2 2 Cell volume: 31738 Cell parameters: 35.1488; 35.1488; 25.6895; 90; 90; 90; |
COD ID: 7709831 | |
CIF file | Formula: - C10 H7 Cu2.74 K1.68 La0.51 O17.62 - Comments: Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties Dalton Transactions (2022) Space group: I 4 2 2 Cell volume: 9537 Cell parameters: 23.067; 23.067; 17.923; 90; 90; 90; |
COD ID: 7709832 | |
CIF file | Formula: - C40 H28 Ce2.02 Cu10.98 K6.7 O70.58 - Comments: Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties Dalton Transactions (2022) Space group: I 4 2 2 Cell volume: 9747 Cell parameters: 23.212; 23.212; 18.09; 90; 90; 90; |
COD ID: 7709833 | |
CIF file | Formula: - C20 H14 Cu5.48 K3.35 La1.02 O35.18 - Comments: Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties Dalton Transactions (2022) Space group: I 4 2 2 Cell volume: 9605 Cell parameters: 23.119; 23.119; 17.971; 90; 90; 90; |
COD ID: 7711386 | |
CIF file | Formula: - C16 H45 Cl2.44 Eu Gd N4 O19 - Comments: Storm Thomsen, Maria; Parsons, Simon; Sørensen, Thomas Just Invisible strings. The first single crystal of the cTSAP form of [Eu(DOTA)(H2O)]− has an electronic structure similar to one of the reported cSAP forms Dalton Transactions (2022) Space group: I 4 2 2 Cell volume: 3273.9 Cell parameters: 8.8814; 8.8814; 41.505; 90; 90; 90; |
COD ID: 7711387 | |
CIF file | Formula: - C16 H44.8 Cl2.52 Eu0.96 N4 O19 Y - Comments: Storm Thomsen, Maria; Parsons, Simon; Sørensen, Thomas Just Invisible strings. The first single crystal of the cTSAP form of [Eu(DOTA)(H2O)]− has an electronic structure similar to one of the reported cSAP forms Dalton Transactions (2022) Space group: I 4 2 2 Cell volume: 3245.5 Cell parameters: 8.8351; 8.8351; 41.578; 90; 90; 90; |
COD ID: 7715218 | |
CIF file | Formula: - C156 H216 B8 N64 Ni4 O3 - Comments: Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo NHC-ligated nickel(II) cyanoborate complexes and salts. Dalton transactions (Cambridge, England : 2003) 53(12) (2024) 5391-5400 Space group: I 4 2 2 Cell volume: 9443.24 Cell parameters: 18.1592; 18.1592; 28.637; 90; 90; 90; |
COD ID: 7715542 | |
CIF file | Formula: - C29 H39 B2 Fe N7 O4 - Comments: Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand. Dalton transactions (Cambridge, England : 2003) 53(17) (2024) 7470-7476 Space group: I 4 2 2 Cell volume: 1530.58 Cell parameters: 9.5472; 9.5472; 16.7921; 90; 90; 90; |
COD ID: 7715543 | |
CIF file | Formula: - C27.5 H29.5 Fe N6.5 O3.5 Se2 - Comments: Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand. Dalton transactions (Cambridge, England : 2003) 53(17) (2024) 7470-7476 Space group: I 4 2 2 Cell volume: 1525.7 Cell parameters: 9.5479; 9.5479; 16.7363; 90; 90; 90; |
COD ID: 7715544 | |
CIF file | Formula: - C27.5 H29.5 Fe N6.5 O3.5 S2 - Comments: Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand. Dalton transactions (Cambridge, England : 2003) 53(17) (2024) 7470-7476 Space group: I 4 2 2 Cell volume: 1482.79 Cell parameters: 9.5426; 9.5426; 16.2834; 90; 90; 90; |
COD ID: 7715545 | |
CIF file | Formula: - C29 H39 B2 Fe N7 O4 - Comments: Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand. Dalton transactions (Cambridge, England : 2003) 53(17) (2024) 7470-7476 Space group: I 4 2 2 Cell volume: 1698.5 Cell parameters: 9.8102; 9.8102; 17.649; 90; 90; 90; |
COD ID: 7715546 | |
CIF file | Formula: - C27.5 H29.5 Fe N6.5 O3.5 Se2 - Comments: Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand. Dalton transactions (Cambridge, England : 2003) 53(17) (2024) 7470-7476 Space group: I 4 2 2 Cell volume: 1679.6 Cell parameters: 9.8316; 9.8316; 17.3768; 90; 90; 90; |
COD ID: 7715547 | |
CIF file | Formula: - C27.5 H29.5 Fe N6.5 O3.5 S2 - Comments: Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand. Dalton transactions (Cambridge, England : 2003) 53(17) (2024) 7470-7476 Space group: I 4 2 2 Cell volume: 1619.1 Cell parameters: 9.8267; 9.8267; 16.767; 90; 90; 90; |
COD ID: 9004161 | |
CIF file | Formula: - Ca1.92 Fe0.06 Mn0.02 O20 Si8 Th0.95 U0.05 - Comments: Szymanski, J. T.; Owens, D. R.; Roberts, A. C.; Ansell, H. G.; Chao, G. Y. A mineralogical study and crystal-structure determination of nonmetamict ekanite, ThCa2Si8O20 Note: Changed O2-x coordinate to match reported bond lengths The Canadian Mineralogist 20 (1982) 65-75 Space group: I 4 2 2 Cell volume: 833.938 Cell parameters: 7.483; 7.483; 14.893; 90; 90; 90; |
COD ID: 9009559 | |
CIF file | Formula: - C8 Al N O12 Si5 - Comments: Sokolova, E. V.; Rybakov, V. B.; Pautov, L. A.; Pushcharovsky D Yu Structural changes in tsaregorodtsevite Note: T = 870 C Doklady Akademii Nauk SSSR 332 (1993) 309-312 Space group: I 4 2 2 Cell volume: 708.221 Cell parameters: 8.908; 8.908; 8.925; 90; 90; 90; |
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