Table 2. Selected Experimental and Calculated^a Bond Distances (Angstrom) and Angles (Degree) for 1F and 2F.

	(1)		(2)
Ni–N1	1.8757(14) 1.903	C4–C5	1.398(2) 1.402	Cu–N1	1.937(3) 1.968	C4–C5	1.399(5) 1.401
Ni–N2	1.8778(13)	C5–C6	1.373(3) 1.388	Cu–N2	1.938(3)	C5–C6	1.372(6) 1.388
N1–C1	1.337(2) 1.331	C6–C7	1.377(2) 1.383	N1–C1	1.338(4) 1.330	C6–C7	1.379(5) 1.383
N2–C3	1.336(2)	C7–C8	1.374(2)	N2–C3	1.335(5)	C7–C8	1.371(5)
N1–C9′	1.409(2)	C8–C9	1.396(3)	N1–C9″	1.413(5)	C8–C9	1.387(6)
N2–C4	1.407(2) 1.405	F1–C5	1.3501(19) 1.351	N2–C4	1.404(5) 1.400	F1–C5	1.356(4) 1.351
C1–C2	1.381(3) 1.387	F2–C6	1.3473(19) 1.337	C1–C2	1.388(6) 1.395	F2–C6	1.342(4) 1.337
C2–C3	1.383(3)	F3–C7	1.344(2)	C2–C3	1.392(6)	F3–C7	1.353(5)
C4–C9	1.418(2) 1.420	F4–C8	1.3550(19)	C4–C9	1.425(5) 1.433	F4–C8	1.361(4)
N1–N2′ (bite distance)	2.525	N1–N2	2.777	N1–N2′ (bite distance)	2.592	N1–N2	2.881 2.939
	2.552		2.825		2.618
N1–Ni–N1′	180.00(8) 180.00	C1–C2–C3	125.23(15) 125.32	N1–Cu–N1″	180.00(18) 180.00	C1–C2–C3	127.8(3) 128.08
N1–Ni–N2	95.43(6) 95.82	N2–C3–C2	124.22(16)	N1–Cu–N2	96.06(13) 96.60	N2–C3–C2	124.3(3)
N1–Ni–N2′	84.57(6) 84.18	Ni–N2–C4	114.56(10) 114.17	N1–Cu–N2″	83.94(13) 83.40	Cu–N2–C4	113.7(2) 113.25
Ni–N1–C1	125.29(12) 124.33	N2–C4–C9	113.15(14) 113.74	Cu–N1–C1	123.7(3) 122.37	N2–C4–C9	114.6(3) 115.05
Ni–N2–C3	125.40(12)	N1′–C9–C4	113.15(15)	Cu–N2–C3	123.7(3)	N1″–C9–C4	114.3(3)
N1–C1–C2	124.41(17) 125.10	Ni–N1–C9′	114.56(10)	N1–C1–C2	124.4(4) 125.32	Cu–N1–C9″	113.5(2)

^aBonds and angles are those calculated in the planar conformation. Symmetry operators: ′ = −X + 1, −Y, −Z + 1; ″ = −X + 1, −Y, −Z + 1.