Crystallography Open Database
Search results
Result: there are 110 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 4/n n c :2'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1512839 | CIF | C48 H52 Dy Mo12 N8 O50 P | P 4/n n c :2 | 16.92; 16.92; 28.283 90; 90; 90 | 8097 | 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, 2013, 394, 770-775 |
1512840 | CIF | C48 H52 Mo12 N8 O50 P Tb | P 4/n n c :2 | 16.858; 16.858; 28.341 90; 90; 90 | 8054 | 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, 2013, 394, 770-775 |
1512841 | CIF | C48 H52 Er Mo12 N8 O50 P | P 4/n n c :2 | 16.876; 16.876; 28.208 90; 90; 90 | 8034 | 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, 2013, 394, 770-775 |
1512842 | CIF | C48 H52 Ho Mo12 N8 O50 P | P 4/n n c :2 | 16.899; 16.899; 28.339 90; 90; 90 | 8093 | 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, 2013, 394, 770-775 |
1520898 | CIF | Fe O2.8 Pr0.1 Sr0.9 | P 4/n n c :2 | 10.9012; 10.9012; 7.6792 90; 90; 90 | 912.567 | 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, 2000, 150, 233-249 |
1534733 | CIF | Al8.56 B1.31 Ca19 Fe0.98 H5.8 Mg3.72 O78 Si18 Ti0.28 | P 4/n n c :2 | 15.656; 15.656; 11.756 90; 90; 90 | 2881.52 | Groat, L.A.; Hawthorne, F.C.; Ercit, T.S. The incorporation of boron into the vesuvianite structure Canadian Mineralogist, 1994, 32, 505-523 |
1534736 | CIF | Al7.2 B1.03 Ca19 Fe2.13 H7.3 Mg3.92 O78 Si18 Ti0.32 | P 4/n n c :2 | 15.71; 15.71; 11.719 90; 90; 90 | 2892.3 | Groat, L.A.; Ercit, T.S.; Hawthorne, F.C. The incorporation of boron into the vesuvianite structure Canadian Mineralogist, 1994, 32, 505-523 |
1534740 | CIF | Al6.64 B2.39 Ca19 Fe2.7 H4 Mg3.6 O78 Si18 Ti0.36 | P 4/n n c :2 | 15.745; 15.745; 11.728 90; 90; 90 | 2907.43 | Groat, L.A.; Ercit, T.S.; Hawthorne, F.C. The incorporation of boron into the of vesuvianite structure Canadian Mineralogist, 1994, 32, 505-523 |
1541679 | CIF | Al9.2 Ca19 Fe2.5 H6.2 Mg1.7 Mn0.2 O78 Si18 Ti0.4 | P 4/n n c :2 | 15.565; 15.565; 11.816 90; 90; 90 | 2862.65 | 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, 1971, 105, 63-84 |
1541733 | CIF | Al10 Ca19 Fe2 H8 Mg O78 Si18 | P 4/n n c :2 | 15.516; 15.516; 11.769 90; 90; 90 | 2833.34 | Rucklidge, J.C.; Kocman, V.; Whitlow, S.H.; Gabe, E.J. The crystal structures of three canadian vesuvianites Canadian Mineralogist, 1975, 13, 15-21 |
1556972 | CIF | 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 | P 4/n n c :2 | 15.7018; 15.7018; 11.8648 90; 90; 90 | 2925.2 | Halenius, U.; Bosi, F.; Gatedal, K. Crystal structure and chemistry of skarn-associated bismuthian vesuvianite American Mineralogist, 2013, 98, 566-573 |
1570688 | CIF | C4 N2 O | P 4/n n c :2 | 2.37513; 2.37513; 2.16441 90; 90; 90 | 12.21 | 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, 2023, 14, 12984-12994 |
2003573 | CIF Paper | C64 H32 Er N16 | P 4/n n c :2 | 19.907; 19.907; 6.43 90; 90; 90 | 2548 | Ostendorp, G.; Werner, J.-P.; Homborg, H. Bis(phthalocyaninato)erbium (α1 Phase) Acta Crystallographica Section C, 1995, 51, 1125-1128 |
2015992 | CIF HKL Paper | C28 H36 Cl2 Cu N4 | P 4/n n c :2 | 11.3324; 11.3324; 10.894 90; 90; 90 | 1399 | Martone, Daniel P.; Maverick, Andrew W.; Fronczek, Frank R. <i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II) Acta Crystallographica Section C, 2007, 63, m238-m239 |
2107993 | CIF HKL Paper | Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 | P 4/n n c :2 | 15.5326; 15.5326; 11.804 90; 90; 90 | 2847.85 | 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, 2016, 72, 744-752 |
2201971 | CIF HKL Paper | Ce0.1133 H4 Na0.66 O5 P | P 4/n n c :2 | 10.187; 10.187; 15.497 90; 90; 90 | 1608.2 | 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, 2003, 59, i92-i94 |
2205743 | CIF HKL Paper | C28 H36 Cl2 N4 Ni | P 4/n n c :2 | 11.583; 11.583; 10.747 90; 90; 90 | 1441.9 | 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, 2005, 61, m889-m891 |
4077792 | CIF | C194 H120 Cl4 Cu12 Pt6 | P 4/n n c :2 | 16.1431; 16.1431; 32.538 90; 90; 90 | 8479.4 | 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, 1999, 18, 3353 |
4108559 | CIF | C60 H100 Cl2 O8 Pt10 S40 | P 4/n n c :2 | 13.971; 13.971; 28.774 90; 90; 90 | 5616.4 | 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, 2008, 130, 14102-14104 |
4112487 | CIF | C176 H178 N24 O98 Tm14 | P 4/n n c :2 | 19.322; 19.322; 33.829 90; 90; 90 | 12630 | 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, 2004, 126, 5213-5218 |
4113066 | CIF | C66 H100 O40 Pr3.75 S6 | P 4/n n c :2 | 30.052; 30.052; 42.551 90; 90; 90 | 38429 | 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, 2004, 126, 13170-13171 |
4115010 | CIF | C30 H52 Cl5 Mo2 N12 | P 4/n n c :2 | 13.6912; 13.6912; 20.4755 90; 90; 90 | 3838.1 | 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, 2002, 124, 9249-9256 |
4116804 | CIF | C60 H60 Cl N8 O4 Rh2 | P 4/n n c :2 | 14.3327; 14.3327; 14.371 90; 90; 90 | 2952.2 | 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, 1998, 120, 8136-8142 |
4116919 | CIF | C28 H48 Cl2 N12 Pd2 | P 4/n n c :2 | 10.502; 10.502; 14.5 90; 90; 90 | 1599.2 | F. Albert Cotton; Jiande Gu; Carlos A. Murillo; Daren J. Timmons The First Dinuclear Complex of Palladium(III) Journal of the American Chemical Society, 1998, 120, 13280-13281 |
4122084 | CIF | C60 H60 B F4 N8 O8 Ru2 | P 4/n n c :2 | 13.7952; 13.7952; 15.095 90; 90; 90 | 2872.7 | 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, 2014, 136, 9580-9589 |
4122085 | CIF | C60 H60 B F4 N8 O8 Ru2 | P 4/n n c :2 | 13.6662; 13.6662; 15.052 90; 90; 90 | 2811.2 | 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, 2014, 136, 9580-9589 |
4122086 | CIF | C60 H60 B F4 N8 O8 Ru2 | P 4/n n c :2 | 13.7952; 13.7952; 15.095 90; 90; 90 | 2872.7 | 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, 2014, 136, 9580-9589 |
4122087 | CIF | C60 H60 B F4 N8 O8 Ru2 | P 4/n n c :2 | 13.8927; 13.8927; 15.0744 90; 90; 90 | 2909.5 | 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, 2014, 136, 9580-9589 |
4130345 | CIF | C384 H264 Cl2 F132 Fe8 N48 O32 P14 | P 4/n n c :2 | 28.314; 28.314; 35.3911 90; 90; 90 | 28372 | 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, 2016, 138, 6813-6821 |
4133029 | CIF | C592 H656 N52 O26 Zn6 | P 4/n n c :2 | 40.05; 40.05; 37.745 90; 90; 90 | 60543 | 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, 2018, 140, 14547-14551 |
4135123 | CIF | C153 H94 Cu2 N4 O42 | P 4/n n c :2 | 32.9819; 32.9819; 9.9569 90; 90; 90 | 10831.2 | 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 |
4308792 | CIF | C88 H56 N8 O3 Ru2 | P 4/n n c :2 | 13.23343; 13.23343; 19.42737 90; 90; 90 | 3402.19 | 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, 2005, 44, 2039-2049 |
4310765 | CIF | C14 H20 Mo0.5 O2.5 | P 4/n n c :2 | 22.5679; 22.5679; 13.0099 90; 90; 90 | 6626.1 | 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, 2004, 43, 2114-2124 |
4314275 | CIF | C16 H14 B Cu3 F4 N2 O5 | P 4/n n c :2 | 13.6036; 13.6036; 20.5614 90; 90; 90 | 3805.1 | 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, 2003, 42, 5786-5788 |
4322922 | CIF | C88 H56 F6 N8 O2 P Ru2 | P 4/n n c :2 | 18.5148; 18.5148; 26.441 90; 90; 90 | 9063.9 | James P. Collman; Steven T. Harford Structural and Spectroscopic Characterization of a Metal-Metal Bonded Ruthenium Porphyrin Dimer Cation Inorganic Chemistry, 1998, 37, 4152-4153 |
4323514 | CIF | K8 Tl10 Zn | P 4/n n c :2 | 10.319; 10.319; 13.859 90; 90; 90 | 1475.7 | Zhen-Chao Dong; Robert W. Henning; John D. Corbett K8Tl10Zn: A Zintl Phase Containing the Zinc-Centered Thallium Polyanion Tl10Zn8- Inorganic Chemistry, 1997, 36, 3559-3561 |
4323778 | CIF | C60 H60 F6 N8 P Pt2 | P 4/n n c :2 | 14.392; 14.392; 14.436 90; 90; 90 | 2990.1 | 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, 1996, 35, 498-503 |
4330731 | CIF | C128 H0 Ag8 Pt4 | P 4/n n c :2 | 16.043; 16.043; 20.62 90; 90; 90 | 5307.1 | Qiao-Hua Wei; Li-Jing Han; Yi Jiang; Xiao-Xia Lin; Ya-Nan Duan; Guo-Nan Chen Electrochemiluminescence Properties of [Pt2Ag4(C\τbCC6H4R)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, 2012, 51, 11117-11125 |
4335740 | CIF | C34 H54 Cl2 N2 O2 Ti | P 4/n n c :2 | 24.7045; 24.7045; 30.7712 90; 90; 90 | 18780 | 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, 2013, 52, 9427-9439 |
4337067 | CIF | C56 H40 Cd Cl2 N12 Zn2 | P 4/n n c :2 | 20.0126; 20.0126; 10.3775 90; 90; 90 | 4156.23 | 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, 2013, 52, 14439-14448 |
4340785 | CIF | C72 H84 N12 O16 P4 Zn4 | P 4/n n c :2 | 17.9799; 17.9799; 30.999 90; 90; 90 | 10021.3 | 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, 2014, 53, 8959-8969 |
4343238 | CIF | C88 H100 F4 N16 O96 P2 W24 Zn3 | P 4/n n c :2 | 19.4643; 19.4643; 25.534 90; 90; 90 | 9673.8 | 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, 2015, 54, 4345-4350 |
4346181 | CIF | C97.5 H124.25 Cu4 N6.75 O20 | P 4/n n c :2 | 25.5002; 25.5002; 17.3192 90; 90; 90 | 11262 | 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, 2015, 54, 7791-7802 |
4346272 | CIF | C96 H216 Cu20 P8 S10 | P 4/n n c :2 | 23.2385; 23.2385; 12.7837 90; 90; 90 | 6903.6 | Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study. Inorganic chemistry, 2015, 54, 9413-9422 |
4347837 | CIF | C66 H32 Mn2 N18 O | P 4/n n c :2 | 13.7022; 13.7022; 13.5358 90; 90; 90 | 2541.4 | Ikeda, Mitsuo; Murakawa, Hiroshi; Matsuda, Masaki; Hanasaki, Noriaki Phthalocyanine-Based Single-Component Molecular Conductor [Mn(III)(Pc)(CN)]2O. Inorganic chemistry, 2016, 55, 7314-7316 |
4349310 | CIF | C140 H196 Mn29 N30 O80 | P 4/n n c :2 | 21.956; 21.956; 23.591 90; 90; 90 | 11372 | 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, 2016, 55, 12118-12121 |
4503690 | CIF | C10 H16 N8 O5 Zn2 | P 4/n n c :2 | 12.7035; 12.7035; 25.438 90; 90; 90 | 4105.2 | 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, 2008, 8, 3673 |
4504506 | CIF | C56 H72 O10 | P 4/n n c :2 | 15.511; 15.511; 22.398 90; 90; 90 | 5388.8 | Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R. Inclusion of Terpenes bypara-Acyl Calix[4]arenes Crystal Growth & Design, 2006, 6, 132 |
4504507 | CIF | C52 H72 O9 | P 4/n n c :2 | 15.433; 15.433; 22.654 90; 90; 90 | 5395.7 | Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R. Inclusion of Terpenes bypara-Acyl Calix[4]arenes Crystal Growth & Design, 2006, 6, 132 |
4508867 | CIF | C58 H76 O9.5 | P 4/n n c :2 | 15.4735; 15.4735; 22.604 90; 90; 90 | 5412.1 | 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, 2006, 6, 2141 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!