''
You're browsing a preview of 500 materials. Log in for full access.

500 results

ID (Database) ⇅ ID (COD) ⇅ Formula ⇅ Space group H-M ⇅ Space group IT ⇅ Publication details Publisher ⇅
1 4082354 C21 H24 Cl3 Fe N2 P -1 2 Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes Organometallics, 2014, vol: 33, page: 921
2 4062611 C22 H24 O2 Si2 P 1 21/c 1 14 2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations Organometallics, 2004
3 4077304 C12 H19 Si P -1 2 An Effective and Selective Route to 1,5-Dihydropolyalkylateds-Indacenes:  Characterization of Their Mono- and Dianions by Silylation. Structure oftrans-1,5-Bis(trimethylsilyl)-2,6-diethyl-4,8-dimethyl-s-indacene Organometallics, 2001, vol: 20, page: 5591
4 4070813 C18 H54 Cl2 N4 P2 Si6 P -1 2 Titanocene-Mediated Formation of Phosphorus−Phosphorus Bonds Organometallics, 2008, vol: 27, page: 1393
5 4068834 C10 H12 N4 O2 P 1 21/c 1 14 Reactions of Low-Valent Titanocene(II) Fragments withtrans-4,4′-Azobispyridine (RNNR, R = C5H4N): Formation of Tetranuclear Molecular Squares bytrans−cisIsomerization Organometallics, 2009, vol: 28, page: 2799
6 4072877 C9 H15 B N8 P -1 2 Structure and Properties of Substituted Imidazolium, Triazolium, and Tetrazolium Poly(1,2,4-triazolyl)borate Salts Organometallics, 2007, vol: 26, page: 1782
7 4082978 C22 H22 Br3 Cu2 N6 P -1 2 Remarkable Stability of Copper(II)--N-Heterocyclic Carbene Complexes Void of an Anionic Tether Organometallics, 2014, vol: 33, page: 2027
8 4073831 C19 H20 F6 O6 P -1 2 Metal-Dependent Reactivity of Electrophilic Platinum Group Metal Lewis Acid Catalysts:  Competitive Alkene Dimerization, Intramolecular Friedel−Crafts Alkylation, and Carbonyl-Ene Reactivity Organometallics, 2007, vol: 26, page: 5961
9 4069356 C14 H16 N2 O9 Pt P -1 2 Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes Organometallics, 2009, vol: 28, page: 3501
10 4076627 C21 H10 Co O13 P -1 2 Parallel Approaches to Mono- and Bis-Propargylic Activation via Co2(CO)8and [Ru3(\m-Cl)(CO)10]- Organometallics, 2002, vol: 21, page: 871
Items per page:   10   20   50   100  

Is your relevant material missing?

  • We can share our experience running high-throughput calculations based on density functional theory.
  • Alternatively, our machine learning models trained on our large database can predict relevant material properties.

Feel free to contact us if you are interested in a partnership so that we can provide computationally relevant results.
Please email us at:

ap@doubletlabs.com