Crystal Structure of Ruthenium Phthalocyanine with Diaxial Monoatomic Ligand: Bis(Triphenylphosphine)Iminium Dichloro(Phthalocyaninato(2-))Ruthenium(III)

Table 3

Intramolecular bond angles (°) of PNP[Ru^III(Pc)Cl₂].

Atom	Angle
N3 Ru1 N3	179.999(1)
N3 Ru1 N1	90.3(3)
N3 Ru1 Cl1	90.4(2)
N1 Ru1 Cl1	91.6(2)
N1 Ru1 Cl1	91.6(2)
N5 P1 C17	110.3(4)
N5 P1 C23	111.2(3)
C1 N1 C8	109.8(8)
C8 N2 C9	122.7(8)
C16 N3 Ru1	125.7(6)
N4 C1 N1	128.8(9)
C3 C2 C7	120.0(9)
C4 C3 C2	117.9(10)
C5 C4 C3	122.2(10)
C4 C5 C6	121.2(10)
C7 C6 C5	117.3(10)
C6 C7 C2	121.4(9)
N2 C8 N1	127.7(9)
N2 C9 N3	128.3(9)
C11 C10 C15	120.9(9)
C12 C11 C10	117.3(10)
C11 C12 C13	122.0(10)
C14 C13 C12	120.2(10)
C15 C14 C13	118.5(10)
C14 C15 C10	121.1(10)
N4 C16 N3	126.1(9)
C22 C17 C18	118.3(12)
C17 C18 C19	119.0(13)
C20 C19 C18	119.4(14)
C21 C20 C19	122.7(16)
C20 C21 C22	119.0(14)
C17 C22 C21	121.6(13)
C28 C23 C24	118.8(10)
C25 C24 C23	121.6(11)
C24 C25 C26	118.8(11)
C27 C26 C25	119.2(11)
C28 C27 C26	120.7(11)
C27 C28 C23	120.8(10)
C30 C29 C34	119.9(10)
C29 C30 C31	118.9(11)
C32 C31 C30	120.4(10)
C33 C32 C31	119.4(10)
C32 C33 C34	121.6(11)
C33 C34 C29	119.7(10)
N3 Ru1 N1	89.7(3)
N3 Ru1 N1	89.7(3)
N3 Ru1 Cl1	89.6(2)
N3 Ru1 Cl1	89.6(2)
N1 Ru1 Cl1	88.4(2)
N5 P1 C29	110.5(3)
C17 P1 C23	107.7(5)
C1 N1 Ru1	124.6(6)
C9 N3 C16	108.0(8)
C1 N4 C16	124.3(8)
N4 C1 C2	122.3(9)
C3 C2 C1	133.3(9)
C4 C3 H3	121.1
C5 C4 H4	118.9
C4 C5 H5	119.4
C7 C6 H6	121.4
C6 C7 C8	132.2(9)
N2 C8 C7	124.0(9)
N2 C9 C10	122.0(9)
C11 C10 C9	133.3(10)
C12 C11 H11	121.3
C11 C12 H12	119.0
C14 C13 H13	119.9
C15 C14 H14	120.7
C14 C15 C16	132.3(10)
N4 C16 C15	123.9(9)
C22 C17 P1	119.1(9)
C17 C18 H18	120.5
C20 C19 H19	120.3
C21 C20 H20	118.7
C20 C21 H21	120.5
C17 C22 H22	119.2
C28 C23 P1	122.3(8)
C25 C24 H24	119.2
C24 C25 H25	120.6
C27 C26 H26	120.4
C28 C27 H27	119.6
C27 C28 H28	119.6
C30 C29 P1	122.1(8)
C29 C30 H30	120.5
C32 C31 H31	119.8
C33 C32 H32	120.3
C32 C33 H33	119.2
C33 C34 H34	120.2
N3 Ru1 N1	90.3(3)
N1 Ru1 N1	179.999(1)
N1 Ru1 Cl1	88.4(2)
N3 Ru1 Cl1	90.4(2)
Cl1 Ru1 Cl1	179.999(1)
C17 P1 C29	108.2(5)
C29 P1 C23	108.8(5)
C8 N1 Ru1	125.4(6)
C9 N3 Ru1	126.1(7)
P1 N5 P1	179.999(1)
N1 C1 C2	108.9(8)
C7 C2 C1	106.6(8)
C2 C3 H3	121.1
C3 C4 H4	118.9
C6 C5 H5	119.4
C5 C6 H6	121.4
C2 C7 C8	106.3(8)
N1 C8 C7	108.3(8)
N3 C9 C10	109.7(9)
C15 C10 C9	105.8(9)
C10 C11 H11	121.3
C13 C12 H12	119.0
C12 C13 H13	119.9
C13 C14 H14	120.7
C10 C15 C16	106.5(8)
N3 C16 C15	109.9(9)
C18 C17 P1	122.6(9)
C19 C18 H18	120.5
C18 C19 H19	120.3
C19 C20 H20	118.7
C22 C21 H21	120.5
C21 C22 H22	119.2
C24 C23 P1	119.0(8)
C23 C24 H24	119.2
C26 C25 H25	120.6
C25 C26 H26	120.4
C26 C27 H27	119.6
C23 C28 H28	119.6
C34 C29 P1	118.0(7)
C31 C30 H30	120.5
C30 C31 H31	119.8
C31 C32 H32	120.3
C34 C33 H33	119.2
C29 C34 H34	120.2