Information card for entry 4060936

Structure parameters

• Formula: C30 H36 Nb O P S2 Si2
• Calculated formula: C30 H36 Nb O P S2 Si2
• SMILES: [Nb]12345678(SC(P(c9ccccc9)c9ccccc9)=S)(C#[O])([c]9([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]49)[c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81
• Title of publication: Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl Halides to Give Phosphinodithioformato- and Phosphino-Niobocene Complexes: X-ray Crystal Structures of [Nb(η5-C5H4SiMe3)2(κ1-S-SC(S)(PPh2))(CO)] and [Nb(η5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3
• Authors of publication: Antiñolo, Antonio; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1310 - 1316
• a: 17.063 ± 0.008 Å
• b: 10.834 ± 0.008 Å
• c: 18.488 ± 0.006 Å
• α: 90°
• β: 108.76 ± 0.04°
• γ: 90°
• Cell volume: 3236 ± 3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Duplicate of: 4074932
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No