TY - JOUR
T1 - Structure of Dinitrosyl(1,2-bis(diphenylphosphino)ethane)cobalt Hexafluorophosphate, [Co(NO)2((C6H5)2PC2H4P(C6H5)2)][PF6]
AU - Kaduk, James A.
AU - Ibers, James A.
PY - 1977/12/1
Y1 - 1977/12/1
N2 - The structure of dinitrosyl(1,2-bis(diphenylphosphino)ethane)cobalt hexafluorophosphate, [Co(NO)2((C6H5)2PC2H4P-(C6H5)2][PF6], has been determined from three-dimensional x-ray data. The compound crystallizes in the space group Cs4-Cc with four molecules in a unit cell of dimensions a = 13.510 (8) Å, b = 17.075 (9) Å, c = 13.532 (7) Å, and ß = 115.42 (2)°. Least-squares refinement of the 191 variables has led to the value of the conventional R index (on F) of 0.068 for the 2663 independent reflections for which Fo2> 3σ(Fo2). The complex may be described as a tetrahedral Co(-I) complex of approximate C2v symmetry. Structural parameters: Co-P(1) = 2.249 (3), Co-P(2) = 2.244 (3), Co-N(1) = 1.656 (10), Co-N(2) = 1,671 (11) Å; P(1)-Co-P(2) = 87.87 (9), N(1)-Co-N(2) = 131.7 (5), Co-N(1)-O(1) = 176.6 (14), Co-N(2)-O(2) = 172.3 (11)°. The angle between the Co(NO)2 and CoP2 planes is 92°. Comparisons are made between the structures and infrared and visible spectra of the title compound, [Co(NO)2(PPh3)2][PF6], and Co(NO)2(SacSac). These structures generally conform to the trends previously observed in M(NO)2L2 complexes, and the partial success of molecular orbital theory in rationalizing these trends is discussed.
AB - The structure of dinitrosyl(1,2-bis(diphenylphosphino)ethane)cobalt hexafluorophosphate, [Co(NO)2((C6H5)2PC2H4P-(C6H5)2][PF6], has been determined from three-dimensional x-ray data. The compound crystallizes in the space group Cs4-Cc with four molecules in a unit cell of dimensions a = 13.510 (8) Å, b = 17.075 (9) Å, c = 13.532 (7) Å, and ß = 115.42 (2)°. Least-squares refinement of the 191 variables has led to the value of the conventional R index (on F) of 0.068 for the 2663 independent reflections for which Fo2> 3σ(Fo2). The complex may be described as a tetrahedral Co(-I) complex of approximate C2v symmetry. Structural parameters: Co-P(1) = 2.249 (3), Co-P(2) = 2.244 (3), Co-N(1) = 1.656 (10), Co-N(2) = 1,671 (11) Å; P(1)-Co-P(2) = 87.87 (9), N(1)-Co-N(2) = 131.7 (5), Co-N(1)-O(1) = 176.6 (14), Co-N(2)-O(2) = 172.3 (11)°. The angle between the Co(NO)2 and CoP2 planes is 92°. Comparisons are made between the structures and infrared and visible spectra of the title compound, [Co(NO)2(PPh3)2][PF6], and Co(NO)2(SacSac). These structures generally conform to the trends previously observed in M(NO)2L2 complexes, and the partial success of molecular orbital theory in rationalizing these trends is discussed.
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U2 - 10.1021/ic50178a059
DO - 10.1021/ic50178a059
M3 - Article
AN - SCOPUS:0004661239
SN - 0020-1669
VL - 16
SP - 3283
EP - 3287
JO - Inorganic chemistry
JF - Inorganic chemistry
IS - 12
ER -