Crystallography Open Database
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Result : There are 110 entries in the selection
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Searching space group like 'P 4/n n c :2'
| COD ID: 1512839 | |
| CIF file | Formula: - C48 H52 Dy Mo12 N8 O50 P - Comments: Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization Inorganica Chimica Acta 394 (2013) 770-775 Space group: P 4/n n c :2 Cell volume: 8097 Cell parameters: 16.92; 16.92; 28.283; 90; 90; 90; |
| COD ID: 1512840 | |
| CIF file | Formula: - C48 H52 Mo12 N8 O50 P Tb - Comments: Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization Inorganica Chimica Acta 394 (2013) 770-775 Space group: P 4/n n c :2 Cell volume: 8054 Cell parameters: 16.858; 16.858; 28.341; 90; 90; 90; |
| COD ID: 1512841 | |
| CIF file | Formula: - C48 H52 Er Mo12 N8 O50 P - Comments: Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization Inorganica Chimica Acta 394 (2013) 770-775 Space group: P 4/n n c :2 Cell volume: 8034 Cell parameters: 16.876; 16.876; 28.208; 90; 90; 90; |
| COD ID: 1512842 | |
| CIF file | Formula: - C48 H52 Ho Mo12 N8 O50 P - Comments: Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization Inorganica Chimica Acta 394 (2013) 770-775 Space group: P 4/n n c :2 Cell volume: 8093 Cell parameters: 16.899; 16.899; 28.339; 90; 90; 90; |
| COD ID: 1520898 | |
| CIF file | Formula: - Fe O2.8 Pr0.1 Sr0.9 - Comments: Brinks, H.W.; Fjellvag, H.; Kjekshus, A.; Hauback, B.C. Structure and magnetism of Pr1-x Srx Fe O3-d Journal of Solid State Chemistry 150 (2000) 233-249 Space group: P 4/n n c :2 Cell volume: 912.567 Cell parameters: 10.9012; 10.9012; 7.6792; 90; 90; 90; |
| COD ID: 1534733 | |
| CIF file | Formula: - Al8.56 B1.31 Ca19 Fe0.98 H5.8 Mg3.72 O78 Si18 Ti0.28 - Comments: Groat, L.A.; Hawthorne, F.C.; Ercit, T.S. The incorporation of boron into the vesuvianite structure Canadian Mineralogist 32 (1994) 505-523 Space group: P 4/n n c :2 Cell volume: 2881.52 Cell parameters: 15.656; 15.656; 11.756; 90; 90; 90; |
| COD ID: 1534736 | |
| CIF file | Formula: - Al7.2 B1.03 Ca19 Fe2.13 H7.3 Mg3.92 O78 Si18 Ti0.32 - Comments: Groat, L.A.; Ercit, T.S.; Hawthorne, F.C. The incorporation of boron into the vesuvianite structure Canadian Mineralogist 32 (1994) 505-523 Space group: P 4/n n c :2 Cell volume: 2892.3 Cell parameters: 15.71; 15.71; 11.719; 90; 90; 90; |
| COD ID: 1534740 | |
| CIF file | Formula: - Al6.64 B2.39 Ca19 Fe2.7 H4 Mg3.6 O78 Si18 Ti0.36 - Comments: Groat, L.A.; Ercit, T.S.; Hawthorne, F.C. The incorporation of boron into the of vesuvianite structure Canadian Mineralogist 32 (1994) 505-523 Space group: P 4/n n c :2 Cell volume: 2907.43 Cell parameters: 15.745; 15.745; 11.728; 90; 90; 90; |
| COD ID: 1541679 | |
| CIF file | Formula: - Al9.2 Ca19 Fe2.5 H6.2 Mg1.7 Mn0.2 O78 Si18 Ti0.4 - Comments: Coda, A.; della Giusta, A.; Isetti, G.; Mazzi, F. On the crystal structure of vesuvianite Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali 105 (1971) 63-84 Space group: P 4/n n c :2 Cell volume: 2862.65 Cell parameters: 15.565; 15.565; 11.816; 90; 90; 90; |
| COD ID: 1541733 | |
| CIF file | Formula: - Al10 Ca19 Fe2 H8 Mg O78 Si18 - Comments: Rucklidge, J.C.; Kocman, V.; Whitlow, S.H.; Gabe, E.J. The crystal structures of three canadian vesuvianites Canadian Mineralogist 13 (1975) 15-21 Space group: P 4/n n c :2 Cell volume: 2833.34 Cell parameters: 15.516; 15.516; 11.769; 90; 90; 90; |
| COD ID: 1556972 | |
| CIF file | Formula: - Al7.94 Bi1.08 Ca16.74 Ce0.07 Cu0.1 Fe2.02 H7.55 Mg1.88 Mn0.47 O78 Pb0.11 Si17.84 Ti0.84 - Comments: Halenius, U.; Bosi, F.; Gatedal, K. Crystal structure and chemistry of skarn-associated bismuthian vesuvianite American Mineralogist 98 (2013) 566-573 Space group: P 4/n n c :2 Cell volume: 2925.2 Cell parameters: 15.7018; 15.7018; 11.8648; 90; 90; 90; |
| COD ID: 1570688 | |
| 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: P 4/n n c :2 Cell volume: 12.21 Cell parameters: 2.37513; 2.37513; 2.16441; 90; 90; 90; |
| COD ID: 2003573 | |
| CIF file | Formula: - C64 H32 Er N16 - Comments: Ostendorp, G.; Werner, J.-P.; Homborg, H. Bis(phthalocyaninato)erbium (α1 Phase) Acta Crystallographica Section C 51(6) (1995) 1125-1128 Space group: P 4/n n c :2 Cell volume: 2548 Cell parameters: 19.907; 19.907; 6.43; 90; 90; 90; |
| COD ID: 2015992 | |
| CIF file | Formula: - C28 H36 Cl2 Cu N4 - Comments: Martone, Daniel P.; Maverick, Andrew W.; Fronczek, Frank R. <i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II) Acta Crystallographica Section C 63(6) (2007) m238-m239 Space group: P 4/n n c :2 Cell volume: 1399 Cell parameters: 11.3324; 11.3324; 10.894; 90; 90; 90; |
| COD ID: 2107993 | |
| CIF file | Formula: - Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 - Comments: Aksenov, Sergey M.; Chukanov, Nikita V.; Rusakov, Vyacheslav S.; Panikorovskii, Taras L.; Rastsvetaeva, Ramiza K.; Gainov, Ramil R.; Vagizov, Farit G.; Lyssenko, Konstantin A.; Belakovskiy, Dmitry I. Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley, Pakistan Acta Crystallographica Section B 72(5) (2016) 744-752 Space group: P 4/n n c :2 Cell volume: 2847.85 Cell parameters: 15.5326; 15.5326; 11.804; 90; 90; 90; |
| COD ID: 2201971 | |
| CIF file | Formula: - Ce0.1133 H4 Na0.66 O5 P - Comments: Ben Zarkouna, Emna; Zid, Mohamed Faouzi; Driss, Ahmed Na~0.6601~Ce~0.1133~(H~2~PO~4~)·H~2~O Acta Crystallographica Section E 59(6) (2003) i92-i94 Space group: P 4/n n c :2 Cell volume: 1608.2 Cell parameters: 10.187; 10.187; 15.497; 90; 90; 90; |
| COD ID: 2205743 | |
| CIF file | Formula: - C28 H36 Cl2 N4 Ni - Comments: Xiang-Sheng Xu; Ya-Ping Lü; Dong-Shun Deng; Mao-Lin Hu; Zhi-Min Jin Tetrakis(3,5-lutidine)dichloronickel(II) Acta Crystallographica Section E 61(5) (2005) m889-m891 Space group: P 4/n n c :2 Cell volume: 1441.9 Cell parameters: 11.583; 11.583; 10.747; 90; 90; 90; |
| COD ID: 4077792 | |
| CIF file | Formula: - C194 H120 Cl4 Cu12 Pt6 - Comments: Charmant, Jonathan P. H.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Merino, Rosa I.; Moreno, M. Teresa; Orpen, A. Guy Unprecedented Pt−Pt Bonded Trimer {[Pt2Cu4(C⋮CPh)8]}3Showing Unusual Near-Infrared Luminescence Organometallics 18(17) (1999) 3353 Space group: P 4/n n c :2 Cell volume: 8479.4 Cell parameters: 16.1431; 16.1431; 32.538; 90; 90; 90; |
| COD ID: 4108559 | |
| CIF file | Formula: - C60 H100 Cl2 O8 Pt10 S40 - Comments: Minoru Mitsumi; Hidekazu Ueda; Kazumi Furukawa; Yoshiki Ozawa; Koshiro Toriumi; Mohamedally Kurmoo Constructing Highly Conducting Metal-Metal Bonded Solids by Electrocrystallization of [PtII2(RCS2)4] (RCS2-= Dithiocarboxylato, R = Methyl or Ethyl) Journal of the American Chemical Society 130 (2008) 14102-14104 Space group: P 4/n n c :2 Cell volume: 5616.4 Cell parameters: 13.971; 13.971; 28.774; 90; 90; 90; |
| COD ID: 4112487 | |
| CIF file | Formula: - C176 H178 N24 O98 Tm14 - Comments: Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters Journal of the American Chemical Society 126 (2004) 5213-5218 Space group: P 4/n n c :2 Cell volume: 12630 Cell parameters: 19.322; 19.322; 33.829; 90; 90; 90; |
| COD ID: 4113066 | |
| CIF file | Formula: - C66 H100 O40 Pr3.75 S6 - Comments: Jerry L. Atwood; Leonard J. Barbour; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston; Helen R. Webb Toward Mimicking Viral Geometry with Metal-Organic Systems Journal of the American Chemical Society 126 (2004) 13170-13171 Space group: P 4/n n c :2 Cell volume: 38429 Cell parameters: 30.052; 30.052; 42.551; 90; 90; 90; |
| COD ID: 4115010 | |
| CIF file | Formula: - C30 H52 Cl5 Mo2 N12 - Comments: F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds Journal of the American Chemical Society 124 (2002) 9249-9256 Space group: P 4/n n c :2 Cell volume: 3838.1 Cell parameters: 13.6912; 13.6912; 20.4755; 90; 90; 90; |
| COD ID: 4116804 | |
| CIF file | Formula: - C60 H60 Cl N8 O4 Rh2 - Comments: Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study Journal of the American Chemical Society 120 (1998) 8136-8142 Space group: P 4/n n c :2 Cell volume: 2952.2 Cell parameters: 14.3327; 14.3327; 14.371; 90; 90; 90; |
| COD ID: 4116919 | |
| CIF file | Formula: - C28 H48 Cl2 N12 Pd2 - Comments: F. Albert Cotton; Jiande Gu; Carlos A. Murillo; Daren J. Timmons The First Dinuclear Complex of Palladium(III) Journal of the American Chemical Society 120 (1998) 13280-13281 Space group: P 4/n n c :2 Cell volume: 1599.2 Cell parameters: 10.502; 10.502; 14.5; 90; 90; 90; |
| COD ID: 4122084 | |
| CIF file | Formula: - C60 H60 B F4 N8 O8 Ru2 - Comments: Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. Journal of the American Chemical Society 136(27) (2014) 9580-9589 Space group: P 4/n n c :2 Cell volume: 2872.7 Cell parameters: 13.7952; 13.7952; 15.095; 90; 90; 90; |
| COD ID: 4122085 | |
| CIF file | Formula: - C60 H60 B F4 N8 O8 Ru2 - Comments: Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. Journal of the American Chemical Society 136(27) (2014) 9580-9589 Space group: P 4/n n c :2 Cell volume: 2811.2 Cell parameters: 13.6662; 13.6662; 15.052; 90; 90; 90; |
| COD ID: 4122086 | |
| CIF file | Formula: - C60 H60 B F4 N8 O8 Ru2 - Comments: Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. Journal of the American Chemical Society 136(27) (2014) 9580-9589 Space group: P 4/n n c :2 Cell volume: 2872.7 Cell parameters: 13.7952; 13.7952; 15.095; 90; 90; 90; |
| COD ID: 4122087 | |
| CIF file | Formula: - C60 H60 B F4 N8 O8 Ru2 - Comments: Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. Journal of the American Chemical Society 136(27) (2014) 9580-9589 Space group: P 4/n n c :2 Cell volume: 2909.5 Cell parameters: 13.8927; 13.8927; 15.0744; 90; 90; 90; |
| COD ID: 4130345 | |
| CIF file | Formula: - C384 H264 Cl2 F132 Fe8 N48 O32 P14 - Comments: Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R. Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms. Journal of the American Chemical Society 138(21) (2016) 6813-6821 Space group: P 4/n n c :2 Cell volume: 28372 Cell parameters: 28.314; 28.314; 35.3911; 90; 90; 90; |
| COD ID: 4133029 | |
| CIF file | Formula: - C592 H656 N52 O26 Zn6 - Comments: Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies. Journal of the American Chemical Society 140(44) (2018) 14547-14551 Space group: P 4/n n c :2 Cell volume: 60543 Cell parameters: 40.05; 40.05; 37.745; 90; 90; 90; |
| COD ID: 4135123 | |
| CIF file | Formula: - C153 H94 Cu2 N4 O42 - Comments: Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks. Journal of the American Chemical Society (2020) Space group: P 4/n n c :2 Cell volume: 10831.2 Cell parameters: 32.9819; 32.9819; 9.9569; 90; 90; 90; |
| COD ID: 4308792 | |
| CIF file | Formula: - C88 H56 N8 O3 Ru2 - Comments: Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins Inorganic Chemistry 44 (2005) 2039-2049 Space group: P 4/n n c :2 Cell volume: 3402.19 Cell parameters: 13.23343; 13.23343; 19.42737; 90; 90; 90; |
| COD ID: 4310765 | |
| CIF file | Formula: - C14 H20 Mo0.5 O2.5 - Comments: Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square Inorganic Chemistry 43 (2004) 2114-2124 Space group: P 4/n n c :2 Cell volume: 6626.1 Cell parameters: 22.5679; 22.5679; 13.0099; 90; 90; 90; |
| COD ID: 4314275 | |
| CIF file | Formula: - C16 H14 B Cu3 F4 N2 O5 - Comments: Xi-Sen Wang; Hong Zhao; Zhi-Rong Qu; Qiong Ye; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You; Hoong-Kun Fun An Unprecedented 8-Fold Interpenetrating Diamondoid-like Coordination Polymer Containing a Cu+4(RCO2)4 Cluster as Connecting Node Inorganic Chemistry 42 (2003) 5786-5788 Space group: P 4/n n c :2 Cell volume: 3805.1 Cell parameters: 13.6036; 13.6036; 20.5614; 90; 90; 90; |
| COD ID: 4322922 | |
| CIF file | Formula: - C88 H56 F6 N8 O2 P Ru2 - Comments: James P. Collman; Steven T. Harford Structural and Spectroscopic Characterization of a Metal-Metal Bonded Ruthenium Porphyrin Dimer Cation Inorganic Chemistry 37 (1998) 4152-4153 Space group: P 4/n n c :2 Cell volume: 9063.9 Cell parameters: 18.5148; 18.5148; 26.441; 90; 90; 90; |
| COD ID: 4323514 | |
| CIF file | Formula: - K8 Tl10 Zn - Comments: Zhen-Chao Dong; Robert W. Henning; John D. Corbett K8Tl10Zn: A Zintl Phase Containing the Zinc-Centered Thallium Polyanion Tl10Zn8- Inorganic Chemistry 36 (1997) 3559-3561 Space group: P 4/n n c :2 Cell volume: 1475.7 Cell parameters: 10.319; 10.319; 13.859; 90; 90; 90; |
| COD ID: 4323778 | |
| CIF file | Formula: - C60 H60 F6 N8 P Pt2 - Comments: F. Albert Cotton; John H. Matonic; Carlos A. Murillo Synthesis and Structural Studies of Platinum Complexes Containing Monodentate, Bridging, and Chelating Formamidine Ligands Inorganic Chemistry 35 (1996) 498-503 Space group: P 4/n n c :2 Cell volume: 2990.1 Cell parameters: 14.392; 14.392; 14.436; 90; 90; 90; |
| COD ID: 4330731 | |
| CIF file | Formula: - C128 H0 Ag8 Pt4 - Comments: Qiao-Hua Wei; Li-Jing Han; Yi Jiang; Xiao-Xia Lin; Ya-Nan Duan; Guo-Nan Chen Electrochemiluminescence Properties of [Pt2Ag4(CτbCC6H4R)8]n (R = CH3, n= 1; R = H, n= 1 and 2) with Amine (TPrA and DBAE) as the Coreactant and Determination of Sudan I Inorganic Chemistry 51 (2012) 11117-11125 Space group: P 4/n n c :2 Cell volume: 5307.1 Cell parameters: 16.043; 16.043; 20.62; 90; 90; 90; |
| COD ID: 4335740 | |
| CIF file | Formula: - C34 H54 Cl2 N2 O2 Ti - Comments: Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes Inorganic Chemistry 52 (2013) 9427-9439 Space group: P 4/n n c :2 Cell volume: 18780 Cell parameters: 24.7045; 24.7045; 30.7712; 90; 90; 90; |
| COD ID: 4337067 | |
| CIF file | Formula: - C56 H40 Cd Cl2 N12 Zn2 - Comments: Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks Inorganic Chemistry 52 (2013) 14439-14448 Space group: P 4/n n c :2 Cell volume: 4156.23 Cell parameters: 20.0126; 20.0126; 10.3775; 90; 90; 90; |
| COD ID: 4340785 | |
| CIF file | Formula: - C72 H84 N12 O16 P4 Zn4 - Comments: Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions. Inorganic chemistry 53(17) (2014) 8959-8969 Space group: P 4/n n c :2 Cell volume: 10021.3 Cell parameters: 17.9799; 17.9799; 30.999; 90; 90; 90; |
| COD ID: 4343238 | |
| CIF file | Formula: - C88 H100 F4 N16 O96 P2 W24 Zn3 - Comments: Liao, Jian-Zhen; Zhang, Hai-Long; Wang, Sa-Sa; Yong, Jian-Ping; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong Multifunctional radical-doped polyoxometalate-based host-guest material: photochromism and photocatalytic activity. Inorganic chemistry 54(9) (2015) 4345-4350 Space group: P 4/n n c :2 Cell volume: 9673.8 Cell parameters: 19.4643; 19.4643; 25.534; 90; 90; 90; |
| COD ID: 4346181 | |
| CIF file | Formula: - C97.5 H124.25 Cu4 N6.75 O20 - Comments: Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W. Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares. Inorganic chemistry 54(16) (2015) 7791-7802 Space group: P 4/n n c :2 Cell volume: 11262 Cell parameters: 25.5002; 25.5002; 17.3192; 90; 90; 90; |
| COD ID: 4346272 | |
| CIF file | Formula: - C96 H216 Cu20 P8 S10 - Comments: Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study. Inorganic chemistry 54(19) (2015) 9413-9422 Space group: P 4/n n c :2 Cell volume: 6903.6 Cell parameters: 23.2385; 23.2385; 12.7837; 90; 90; 90; |
| COD ID: 4347837 | |
| CIF file | Formula: - C66 H32 Mn2 N18 O - Comments: Ikeda, Mitsuo; Murakawa, Hiroshi; Matsuda, Masaki; Hanasaki, Noriaki Phthalocyanine-Based Single-Component Molecular Conductor [Mn(III)(Pc)(CN)]2O. Inorganic chemistry 55(15) (2016) 7314-7316 Space group: P 4/n n c :2 Cell volume: 2541.4 Cell parameters: 13.7022; 13.7022; 13.5358; 90; 90; 90; |
| COD ID: 4349310 | |
| CIF file | Formula: - C140 H196 Mn29 N30 O80 - Comments: Alexandropoulos, Dimitris I.; Fournet, Adeline; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C. "Molecular Nanoclusters": A 2-nm-Sized {Mn<sub>29</sub>} Cluster with a Spherical Structure. Inorganic chemistry 55(23) (2016) 12118-12121 Space group: P 4/n n c :2 Cell volume: 11372 Cell parameters: 21.956; 21.956; 23.591; 90; 90; 90; |
| COD ID: 4503690 | |
| CIF file | Formula: - C10 H16 N8 O5 Zn2 - Comments: Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks Crystal Growth & Design 8(10) (2008) 3673 Space group: P 4/n n c :2 Cell volume: 4105.2 Cell parameters: 12.7035; 12.7035; 25.438; 90; 90; 90; |
| COD ID: 4504506 | |
| CIF file | Formula: - C56 H72 O10 - Comments: Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R. Inclusion of Terpenes bypara-Acyl Calix[4]arenes Crystal Growth & Design 6(1) (2006) 132 Space group: P 4/n n c :2 Cell volume: 5388.8 Cell parameters: 15.511; 15.511; 22.398; 90; 90; 90; |
| COD ID: 4504507 | |
| CIF file | Formula: - C52 H72 O9 - Comments: Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R. Inclusion of Terpenes bypara-Acyl Calix[4]arenes Crystal Growth & Design 6(1) (2006) 132 Space group: P 4/n n c :2 Cell volume: 5395.7 Cell parameters: 15.433; 15.433; 22.654; 90; 90; 90; |
| COD ID: 4508867 | |
| CIF file | Formula: - C58 H76 O9.5 - Comments: Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W. Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes Crystal Growth & Design 6(9) (2006) 2141 Space group: P 4/n n c :2 Cell volume: 5412.1 Cell parameters: 15.4735; 15.4735; 22.604; 90; 90; 90; |
| COD ID: 4508869 | |
| CIF file | Formula: - C56 H71 Br Cl F3 O9 - Comments: Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W. Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes Crystal Growth & Design 6(9) (2006) 2141 Space group: P 4/n n c :2 Cell volume: 5438.3 Cell parameters: 15.4867; 15.4867; 22.675; 90; 90; 90; |
| COD ID: 4515350 | |
| CIF file | Formula: - C22.62 H16 Cu F6 N8 O5.25 Si - Comments: Jiang, Mengdie; Li, Bin; Cui, Xili; Yang, Qiwei; Bao, Zongbi; Yang, Yiwen; Wu, Hui; Zhou, Wei; Chen, Banglin; Xing, Huabin Controlling Pore Shape and Size of Interpenetrated Anion-Pillared Ultramicroporous Materials Enables Molecular Sieving of CO<sub>2</sub> Combined with Ultrahigh Uptake Capacity. ACS applied materials & interfaces 10(19) (2018) 16628-16635 Space group: P 4/n n c :2 Cell volume: 1425.12 Cell parameters: 13.075; 13.075; 8.3362; 90; 90; 90; |
| COD ID: 7012755 | |
| CIF file | Formula: - C4 H30 Mo8 N O30.5 S4 - Comments: Zhan, Xiao-Ping; Lu, Can-Zhong; Yang, Wen-Bin; Ma, Hong-Wei; Wu, Chuan-De; Zhang, Quan-Zheng [Mo8S4O12(OH)8(C2O4)]: a novel polyoxothiomolybdate ring synthesized via a hydrothermal method Dalton Transactions (issue 8) (2003) 1457 Space group: P 4/n n c :2 Cell volume: 4739.3 Cell parameters: 14.864; 14.864; 21.4507; 90; 90; 90; |
| COD ID: 7020986 | |
| CIF file | Formula: - C408 H700 Cd30 N60 O194 - Comments: Gong, Wei-Jie; Liu, Ying-Ying; Yang, Jin; Wu, Hua; Ma, Jian-Fang; Xie, Teng-Feng An unprecedented octahedral {Cd30} nanocage supported by twelve pendant-armed tetraacetate macrocyclic ligands Dalton Transactions 42(10) (2013) 3304 Space group: P 4/n n c :2 Cell volume: 26683.4 Cell parameters: 28.355; 28.355; 33.188; 90; 90; 90; |
| COD ID: 7021897 | |
| CIF file | Formula: - C12 H10 N8 O4 Zn2 - Comments: Luo, Ming-Biao; Yuan, Zi-Zun; Xu, Wen-Yuan; Luo, Feng; Li, Jian-Qiang; Zhu, Yan; Feng, Xue-Feng; Liu, Shu-Juan Framework isomers controlled by the speed of crystallization: different aggregation fashions of Zn(ii) and 1,2,4-triazol-3-amine, distinct (3,4)-connected self-penetrating nets, and various pore shapes. Dalton transactions (Cambridge, England : 2003) 42(38) (2013) 13802-13805 Space group: P 4/n n c :2 Cell volume: 4060.8 Cell parameters: 12.6724; 12.6724; 25.2868; 90; 90; 90; |
| COD ID: 7027611 | |
| CIF file | Formula: - C148 H192 Cl8 N16 O24 Pd8 - Comments: Colquhoun, Howard M.; Fairman, Richard A.; Tootell, Paula; Williams, David J. An octanuclear pyromellitimidato(2−) palladium complex: coordinative assembly of a molecular box Journal of the Chemical Society, Dalton Transactions (issue 16) (1999) 2651 Space group: P 4/n n c :2 Cell volume: 8518.3 Cell parameters: 22.0685; 22.0685; 17.4908; 90; 90; 90; |
| COD ID: 7101703 | |
| CIF file | Formula: - C60 H80 O8 - Comments: Ananchenko, Gennady S; Udachin, Konstantin A; Pojarova, Michaela; Jebors, Said; Coleman, Anthony W; Ripmeester, John A A molecular turnstile in para-octanoyl calix[4]arene nanocapsules. Chemical communications (Cambridge, England) (issue 7) (2007) 707-709 Space group: P 4/n n c :2 Cell volume: 5414.7 Cell parameters: 15.4022; 15.4022; 22.825; 90; 90; 90; |
| COD ID: 7102806 | |
| CIF file | Formula: - C14.63 H19.63 N0.13 O2.5 P0.13 - Comments: Ananchenko, Gennady S.; Udachin, Konstanin A.; Coleman, Anthony W.; Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Ripmeester, John A. Crystalline inclusion complex of a calixarene with a nitroxide Chemical Communications (Cambridge, United Kingdom) (issue 2) (2008) 223-225 Space group: P 4/n n c :2 Cell volume: 5467.2 Cell parameters: 15.5336; 15.5336; 22.658; 90; 90; 90; |
| COD ID: 7104934 | |
| CIF file | Formula: - C108 F48 - Comments: Troyanov, Sergey I; Tamm, Nadezhda B Cage connectivities of C88 (33) and C92 (82) fullerenes captured as trifluoromethyl derivatives, C88(CF3)18 and C92(CF3)16. Chemical communications (Cambridge, England) (issue 40) (2009) 6035-6037 Space group: P 4/n n c :2 Cell volume: 3685.77 Cell parameters: 15.183; 15.183; 15.9887; 90; 90; 90; |
| COD ID: 7113320 | |
| CIF file | Formula: - C64 H40 Cu2 N2 O8 - Comments: Yuichi Takasaki; Satoshi Takamizawa A preferable molecular crystal membrane for H2 gas separation Chem.Commun. 50 (2014) 5662 Space group: P 4/n n c :2 Cell volume: 2637.5 Cell parameters: 16.589; 16.589; 9.584; 90; 90; 90; |
| COD ID: 7114462 | |
| CIF file | Formula: - C9.25 H10.75 N0.25 Nd0.25 O6.38 S - Comments: Dalgarno, Scott J.; Raston, Colin L. Capture of di-protonated [2.2.2]cryptand in the cavity of two p-sulfonated calixarenes as part of 2-D bi-layer lanthanide coordination polymers Chemical Communications (issue 19) (2002) 2216 Space group: P 4/n n c :2 Cell volume: 4657.6 Cell parameters: 11.9026; 11.9026; 32.876; 90; 90; 90; |
| COD ID: 7116024 | |
| CIF file | Formula: - C100 H152 Cu16 N40 O64 - Comments: Andreas K. Kostopoulos; Athanassios D. Katsenis; Jamie M. Frost; Vadim G. Kessler; Euan K. Brechin; Giannis S. Papaefstathiou Circular serendipity: in situ ligand transformation for the self-assembly of an hexadecametallic [CuII16] wheel Chem.Commun. 50 (2014) 15002 Space group: P 4/n n c :2 Cell volume: 7962 Cell parameters: 21.974; 21.974; 16.49; 90; 90; 90; |
| COD ID: 7125372 | |
| CIF file | Formula: - C36 H43 N8 O8 P2 Zn2 - Comments: Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes. Chemical communications (Cambridge, England) 55(55) (2019) 7994-7997 Space group: P 4/n n c :2 Cell volume: 10282.1 Cell parameters: 18.2767; 18.2767; 30.7812; 90; 90; 90; |
| COD ID: 7125525 | |
| CIF file | Formula: - C14 H20 Mo0.5 O2.5 - Comments: Liu, Cai-Ming; Restorp, Per; Nordlander, Ebbe; Pierpont, Cortlandt G. Oxo-deficient dioxylene complexes of Mo(vi) containing 3,6-di-tert-butylcatechol Chemical Communications (issue 24) (2001) 2686 Space group: P 4/n n c :2 Cell volume: 6626.1 Cell parameters: 22.5679; 22.5679; 13.0099; 90; 90; 90; |
| COD ID: 7131768 | |
| CIF file | Formula: - C33 H38.5 Be2 O2.25 - Comments: Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger Dibenzoberylloles: antiaromatic s-block fluorene analogues Chemical Communications (2023) Space group: P 4/n n c :2 Cell volume: 5507.8 Cell parameters: 17.323; 17.323; 18.354; 90; 90; 90; |
| COD ID: 7154208 | |
| CIF file | Formula: - C113 H99 N9 O10 - Comments: Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state. Organic & biomolecular chemistry 13(6) (2015) 1647-1653 Space group: P 4/n n c :2 Cell volume: 9974 Cell parameters: 19.221; 19.221; 26.996; 90; 90; 90; |
| COD ID: 7202061 | |
| CIF file | Formula: - C115.76 H152.28 N O18.88 - Comments: Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Schnegg, Alexander; Möbius, Klaus; Coleman, Anthony W.; Ananchenko, Gennady S.; Udachin, Konstantin A.; Ripmeester, John A. Inclusion of 4-methoxy-2,2,6,6-tetramethylpiperidine-N-oxyl in a calixarene nanocapsule in the solid state Physical Chemistry Chemical Physics 10(34) (2008) 5299-5307 Space group: P 4/n n c :2 Cell volume: 5464.5 Cell parameters: 15.5514; 15.5514; 22.5951; 90; 90; 90; |
| COD ID: 7206016 | |
| CIF file | Formula: - C210 H330 Cl2 Dy14 N24 O143 S16 - Comments: Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate CrystEngComm 13(10) (2011) 3345 Space group: P 4/n n c :2 Cell volume: 15166.1 Cell parameters: 20.0609; 20.0609; 37.6855; 90; 90; 90; |
| COD ID: 7206017 | |
| CIF file | Formula: - C127 H222 Cl2 Dy12 N16 O113 - Comments: Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate CrystEngComm 13(10) (2011) 3345 Space group: P 4/n n c :2 Cell volume: 10624.6 Cell parameters: 21.7073; 21.7073; 22.5476; 90; 90; 90; |
| COD ID: 7209280 | |
| CIF file | Formula: - C6 H5 N4 O2 Zn - Comments: Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2 CrystEngComm 15(11) (2013) 2057 Space group: P 4/n n c :2 Cell volume: 4082 Cell parameters: 12.6672; 12.6672; 25.4399; 90; 90; 90; |
| COD ID: 7209281 | |
| CIF file | Formula: - C6 H5 Co N4 O2 - Comments: Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2 CrystEngComm 15(11) (2013) 2057 Space group: P 4/n n c :2 Cell volume: 4029.9 Cell parameters: 12.5845; 12.5845; 25.4464; 90; 90; 90; |
| COD ID: 7209586 | |
| CIF file | Formula: - C12 H10 N8 O5 Zn2 - Comments: Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions CrystEngComm 15(17) (2013) 3261 Space group: P 4/n n c :2 Cell volume: 4091 Cell parameters: 12.7; 12.7; 25.364; 90; 90; 90; |
| COD ID: 7210296 | |
| CIF file | Formula: - C7 H8 O6.5 P Zn - Comments: Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies CrystEngComm 15(35) (2013) 7056 Space group: P 4/n n c :2 Cell volume: 6030 Cell parameters: 23.986; 23.986; 10.481; 90; 90; 90; |
| COD ID: 7220436 | |
| CIF file | Formula: - C46.5 H62 O4.5 - Comments: Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals CrystEngComm 17(26) (2015) 4799 Space group: P 4/n n c :2 Cell volume: 4145.8 Cell parameters: 12.8494; 12.8494; 25.11; 90; 90; 90; |
| COD ID: 7243585 | |
| CIF file | Formula: - C64 H32 N16 Nd - Comments: Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm 23(40) (2021) 7151-7161 Space group: P 4/n n c :2 Cell volume: 2551.9 Cell parameters: 19.937; 19.937; 6.4202; 90; 90; 90; |
| COD ID: 7243588 | |
| CIF file | Formula: - C64 H32 La N16 - Comments: Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm 23(40) (2021) 7151-7161 Space group: P 4/n n c :2 Cell volume: 2537.27 Cell parameters: 19.9227; 19.9227; 6.3925; 90; 90; 90; |
| COD ID: 7243597 | |
| CIF file | Formula: - C64 H32 Dy N16 - Comments: Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm 23(40) (2021) 7151-7161 Space group: P 4/n n c :2 Cell volume: 2475 Cell parameters: 19.548; 19.548; 6.477; 90; 90; 90; |
| COD ID: 7245670 | |
| CIF file | Formula: - C82 H142 O44 S8 Tb9 - Comments: Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters RSC Advances 12(45) (2022) 29151-29161 Space group: P 4/n n c :2 Cell volume: 8210.1 Cell parameters: 13.3479; 13.3479; 46.0809; 90; 90; 90; |
| COD ID: 7245672 | |
| CIF file | Formula: - C82 H144 Gd9 O44 S8 - Comments: Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters RSC Advances 12(45) (2022) 29151-29161 Space group: P 4/n n c :2 Cell volume: 8245.4 Cell parameters: 13.3613; 13.3613; 46.1864; 90; 90; 90; |
| COD ID: 7245673 | |
| CIF file | Formula: - C82 H142 Dy9 O44 S8 - Comments: Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters RSC Advances 12(45) (2022) 29151-29161 Space group: P 4/n n c :2 Cell volume: 8081 Cell parameters: 13.2526; 13.2526; 46.0114; 90; 90; 90; |
| COD ID: 7707585 | |
| CIF file | Formula: - C66 H72 Ag N4 O12 Ru4 - Comments: Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>. Dalton transactions (Cambridge, England : 2003) 50(27) (2021) 9610-9622 Space group: P 4/n n c :2 Cell volume: 6962.1 Cell parameters: 18.1524; 18.1524; 21.1288; 90; 90; 90; |
| COD ID: 7708319 | |
| CIF file | Formula: - C416 H384 F36 N48 O103 Pd6 S16 - Comments: Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions Dalton Transactions (2021) Space group: P 4/n n c :2 Cell volume: 31823 Cell parameters: 31.691; 31.691; 31.686; 90; 90; 90; |
| COD ID: 9001022 | |
| CIF file | Formula: - Al5.425 Ca9.14 Cu0.355 F0.533 Fe0.145 H4.25 Mg0.28 Mn0.34 O38.25 Si8.755 Zn0.484 - Comments: Fitzgerald, S.; Rheingold, A. L.; Leavens, P. B. Crystal structure of Cu-bearing vesuvianite American Mineralogist 71 (1986) 1011-1014 Space group: P 4/n n c :2 Cell volume: 2840.88 Cell parameters: 15.532; 15.532; 11.776; 90; 90; 90; |
| COD ID: 9001499 | |
| CIF file | Formula: - Al5.44 Ca9.5 Cu0.26 F2.7 H2.3 Mg0.8 O36.3 Si9 - Comments: Ohkawa, M.; Yoshiasa, A.; Takeno, S. Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #1 from Sauland American Mineralogist 77 (1992) 945-953 Space group: P 4/n n c :2 Cell volume: 2836.6 Cell parameters: 15.517; 15.517; 11.781; 90; 90; 90; |
| COD ID: 9001500 | |
| CIF file | Formula: - Al5.24 Ca9.5 F Fe1.26 H4 O38 Si9 - Comments: Ohkawa, M.; Yoshiasa, A.; Takeno, S. Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #2 from Sanpo American Mineralogist 77 (1992) 945-953 Space group: P 4/n n c :2 Cell volume: 2879.95 Cell parameters: 15.606; 15.606; 11.825; 90; 90; 90; |
| COD ID: 9001501 | |
| CIF file | Formula: - Al5.48 Ca9.5 F3.07 Fe1.02 H1.93 O35.93 Si9 - Comments: Ohkawa, M.; Yoshiasa, A.; Takeno, S. Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #3 from Jinmu American Mineralogist 77 (1992) 945-953 Space group: P 4/n n c :2 Cell volume: 2865.64 Cell parameters: 15.583; 15.583; 11.801; 90; 90; 90; |
| COD ID: 9001502 | |
| CIF file | Formula: - Al5.88 Ca9.5 Fe0.36 H5 Mg0.26 O39 Si9 - Comments: Ohkawa, M.; Yoshiasa, A.; Takeno, S. Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #4 from Chichibu American Mineralogist 77 (1992) 945-953 Space group: P 4/n n c :2 Cell volume: 2858.57 Cell parameters: 15.546; 15.546; 11.828; 90; 90; 90; |
| COD ID: 9004081 | |
| CIF file | Formula: - Al5.5 Ca9.46 F1.56 Fe1.098 H4 O37.44 Si9 - Comments: Rucklidge J C; Kocman V; Whitlow S H; Gabe E J The crystal structures of three Canadian vesuvianites Sample: #1 Great Slave Lake The Canadian Mineralogist 13 (1975) 15-21 Space group: P 4/n n c :2 Cell volume: 2833.34 Cell parameters: 15.516; 15.516; 11.769; 90; 90; 90; |
| COD ID: 9004082 | |
| CIF file | Formula: - Al4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9 - Comments: Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J. The crystal structures of three Canadian vesuvianites Sample: #2 Bancroft The Canadian Mineralogist 13 (1975) 15-21 Space group: P 4/n n c :2 Cell volume: 2858.63 Cell parameters: 15.558; 15.558; 11.81; 90; 90; 90; |
| COD ID: 9004083 | |
| CIF file | Formula: - Al4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16 - Comments: Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J. The crystal structures of three Canadian vesuvianites Sample: #3 Wakefield The Canadian Mineralogist 13 (1975) 15-21 Space group: P 4/n n c :2 Cell volume: 2848.41 Cell parameters: 15.543; 15.543; 11.7905; 90; 90; 90; |
| COD ID: 9004256 | |
| CIF file | Formula: - Al5.67 Ca10 Fe0.63 H4 Mg0.56 O39 Si9 Ti0.14 - Comments: Groat, L. A.; Hawthorne, F. C.; Ercit, T. S. The role of fluorine in vesuvianite: A crystal-structure study Sample: V12 The Canadian Mineralogist 30 (1992) 1065-1075 Space group: P 4/n n c :2 Cell volume: 2843.49 Cell parameters: 15.522; 15.522; 11.802; 90; 90; 90; |
| COD ID: 9004257 | |
| CIF file | Formula: - Al5.84 Ca9.9 Cl0.08 F1.12 Fe0.72 H2.8 Mg0.8 Na0.1 O38.8 Si9 Ti0.64 - Comments: Groat, L. A.; Hawthorne, F. C.; Ercit, T. S. The role of fluorine in vesuvianite: A crystal-structure study Sample: V27 The Canadian Mineralogist 30 (1992) 1065-1075 Space group: P 4/n n c :2 Cell volume: 2857.42 Cell parameters: 15.558; 15.558; 11.805; 90; 90; 90; |
| COD ID: 9004258 | |
| CIF file | Formula: - Al6 Ca10 F1.64 Fe1.04 H2.36 Mg0.72 Mn0.08 O38.36 Si9 Ti0.16 - Comments: Groat, L. A.; Hawthorne, F. C.; Ercit, T. S. The role of fluorine in vesuvianite: A crystal-structure study Sample: V4 The Canadian Mineralogist 30 (1992) 1065-1075 Space group: P 4/n n c :2 Cell volume: 2859.5 Cell parameters: 15.563; 15.563; 11.806; 90; 90; 90; |
| COD ID: 9004259 | |
| CIF file | Formula: - Al6 Ca10 F1.88 Fe0.88 H2.12 Mg0.8 Mn0.16 O38.12 Si9 Ti0.16 - Comments: Groat, L. A.; Hawthorne, F. C.; Ercit, T. S. The role of fluorine in vesuvianite: A crystal-structure study Sample: V33 The Canadian Mineralogist 30 (1992) 1065-1075 Space group: P 4/n n c :2 Cell volume: 2845.49 Cell parameters: 15.538; 15.538; 11.786; 90; 90; 90; |
| COD ID: 9004442 | |
| CIF file | Formula: - Al11.04 B2.72 Ca19 Fe2.68 O78.8 Si18 - Comments: Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S. X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: X-ray data, 298 K The Canadian Mineralogist 34 (1996) 1059-1070 Space group: P 4/n n c :2 Cell volume: 2902.13 Cell parameters: 15.736; 15.736; 11.72; 90; 90; 90; |
| COD ID: 9004443 | |
| CIF file | Formula: - Al11.04 B2.72 Ca19 Fe2.68 H8 O78.86 Si18 - Comments: Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S. X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: neutron data, 15 K The Canadian Mineralogist 34 (1996) 1059-1070 Space group: P 4/n n c :2 Cell volume: 2897.08 Cell parameters: 15.725; 15.725; 11.716; 90; 90; 90; |
| COD ID: 9004529 | |
| CIF file | Formula: - Al4.36 Ca10 F0.72 Fe0.89 H5 Mg1.67 O38.28 Si9 Ti0.08 - Comments: Lager, G. A.; Xie, Q.; Ross, F. K.; Rossman, G. R.; Armbruster, T.; Rotella, F. J.; Schultz, A. J. Hydrogen-atom positions in P4/nnc vesuvianite The Canadian Mineralogist 37 (1999) 763-768 Space group: P 4/n n c :2 Cell volume: 2843.42 Cell parameters: 15.533; 15.533; 11.785; 90; 90; 90; |
| COD ID: 9004737 | |
| CIF file | Formula: - Cu H24 O24 P2 U2 - Comments: Locock, A. J.; Burns, P. C. Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite The Canadian Mineralogist 41 (2003) 489-502 Space group: P 4/n n c :2 Cell volume: 1027.33 Cell parameters: 7.0267; 7.0267; 20.807; 90; 90; 90; |
| COD ID: 9004738 | |
| CIF file | Formula: - As2 Cu H24 O24 U2 - Comments: Locock, A. J.; Burns, P. C. Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite The Canadian Mineralogist 41 (2003) 489-502 Space group: P 4/n n c :2 Cell volume: 1075.14 Cell parameters: 7.1797; 7.1797; 20.857; 90; 90; 90; |
| COD ID: 9004768 | |
| CIF file | Formula: - Al5.032 Ca9.46 Cl0.216 F1.44 Fe0.664 H2.844 Mg0.62 Na0.04 O37.344 Si8.955 Ti0.216 - Comments: Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M. Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES1 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia The Canadian Mineralogist 41 (2003) 843-856 Space group: P 4/n n c :2 Cell volume: 2843.55 Cell parameters: 15.536; 15.536; 11.781; 90; 90; 90; |
| COD ID: 9004769 | |
| CIF file | Formula: - Al5.2 Ca9.46 Cl0.23 F1.674 Fe0.62 H2.6 Mg0.516 Na0.04 O37.1 Si8.948 Ti0.164 - Comments: Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M. Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES2 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia The Canadian Mineralogist 41 (2003) 843-856 Space group: P 4/n n c :2 Cell volume: 2838.82 Cell parameters: 15.529; 15.529; 11.772; 90; 90; 90; |
| COD ID: 9004770 | |
| CIF file | Formula: - Al5.428 Ca9.46 Cl0.2 F1.65 Fe0.552 H2.6 Mg0.432 Na0.04 O37.1 Si8.959 Ti0.092 - Comments: Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M. Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES4 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia The Canadian Mineralogist 41 (2003) 843-856 Space group: P 4/n n c :2 Cell volume: 2834.41 Cell parameters: 15.513; 15.513; 11.778; 90; 90; 90; |
| COD ID: 9004801 | |
| CIF file | Formula: - Al10.24 Ca19 F5.76 Fe1.368 H Mg1.36 O72.24 Si17.606 - Comments: Britvin, S. N.; Antonov, A. A.; Krivovichev, S. V.; Armbruster, T.; Burns, P. C.; Chukanov, N. V. Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species from Pitkaranta, Karelia, Russia: Description and crystal structure The Canadian Mineralogist 41 (2003) 1371-1380 Space group: P 4/n n c :2 Cell volume: 2841.12 Cell parameters: 15.5295; 15.5295; 11.7808; 90; 90; 90; |
| COD ID: 9004959 | |
| CIF file | Formula: - Al6.98 B2.86 Be0.02 Ca18.659 Ce0.04 F1.21 Fe1.91 H0.79 La0.05 Mg3.9 Mn0.11 Nd0.01 O78.83 Si18 Sr0.02 Ti0.27 - Comments: Bellatreccia, F.; Camara, F.; Ottolini, L.; Della Ventura, G.; Cibin, G.; Mottana, A. Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure Locality: Ariccia, Latium, Italy The Canadian Mineralogist 43(5) (2005) 1457-1468 Space group: P 4/n n c :2 Cell volume: 2890.8 Cell parameters: 15.716; 15.716; 11.704; 90; 90; 90; |
| COD ID: 9010614 | |
| CIF file | Formula: - Al8.318 B0.484 Ca19 Cl0.18 Fe0.422 H12.672 Mg4.154 Mn0.106 O77.82 Si16.232 - Comments: Galuskin, E. V.; Galuskina, I. O.; Stadnicka, K.; Armbruster, T.; Kozanecki, M. The crystal structure of Si-deficient, OH-substituted, boron-bearing vesuvianite from the Wiluy River, Sakha-Yakutia, Russia The Canadian Mineralogist 45 (2007) 239-248 Space group: P 4/n n c :2 Cell volume: 2907.32 Cell parameters: 15.678; 15.678; 11.828; 90; 90; 90; |
| COD ID: 9014245 | |
| CIF file | Formula: - Al5.636 As0.067 Bi0.06 Ca9.156 Cl0.064 Fe0.223 Mn0.864 O39 Si9 - Comments: Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 2 American Mineralogist 97 (2012) 1627-1634 Space group: P 4/n n c :2 Cell volume: 2860.91 Cell parameters: 15.5852; 15.5852; 11.7782; 90; 90; 90; |
| COD ID: 9014836 | |
| CIF file | Formula: - Al6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9 - Comments: Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 1 American Mineralogist 97 (2012) 1627-1634 Space group: P 4/n n c :2 Cell volume: 2864.72 Cell parameters: 15.5948; 15.5948; 11.7794; 90; 90; 90; |
| COD ID: 9016035 | |
| CIF file | Formula: - O3.6 Pb0.875 W - Comments: Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V. Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Journal of Alloys and Compounds 238 (1996) 46-48 Space group: P 4/n n c :2 Cell volume: 716.068 Cell parameters: 7.719; 7.719; 12.018; 90; 90; 90; |
| COD ID: 9016909 | |
| CIF file | Formula: - Al5.608 Bi0.496 Ca8.701 Ce0.043 Fe0.612 Mg0.156 Mn0.344 O39 Si8.66 - Comments: Halenius, U.; Bosi, F.; Gatedal, K. Crystal structure and chemistry of skarn-associated bismuthian vesuvianite American Mineralogist 98 (2013) 566-573 Space group: P 4/n n c :2 Cell volume: 2925.23 Cell parameters: 15.7018; 15.7018; 11.8648; 90; 90; 90; |
| COD ID: 9016939 | |
| CIF file | Formula: - Al8.759 As0.416 B2.604 Ca18.696 Fe4.36 O79.048 Si17.769 - Comments: Groat, L. A.; Evans, R. J.; Cempirek, J.; McCammon, C.; Houzar, S. Fe-rich and As-bearing vesuvianite and wiluite from Kozlov, Czech Republic American Mineralogist 98 (2013) 1330-1337 Space group: P 4/n n c :2 Cell volume: 2911.32 Cell parameters: 15.725; 15.725; 11.7736; 90; 90; 90; |
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