Table 1: Optimized geometrical parameters of Si–Si bond lengths (in Å) and Si–Si–Si bond angles (in degree) of all-trans α-t-Bu-ω-CN-poly(methylphenyl)silane.

2468101214

Bond length
 Si(1-2)2.3932.3982.4002.4002.4012.4022.402
 Si(2-3)2.3932.3992.4022.4032.4042.4042.404
 Si(3-4)2.3932.3972.4032.4052.4062.4052.405
 Si(4-5)2.3952.4052.4082.4092.4092.409
 Si(5-6)2.3792.4002.4082.4102.4092.409
 Si(6-7)2.3962.4062.4102.4112.411
 Si(7-8)2.3792.4012.4092.4102.411
 Si(8-9)2.3972.4072.4102.411
 Si(9-10)2.3802.4022.4082.410
 Si(10-11)2.3972.4052.410
 Si(11-12)2.3802.4012.408
 Si(12-13)2.3962.406
 Si(13-14)2.3792.401
 Si(14-15)2.396
 Si(15-16)2.379
Bond angle
 Si(1-2-3)110.8110.8110.7110.7110.7110.5110.4
 Si(2-3-4)111.3113.5113.7113.6113.6113.8113.9
 Si(3-4-5) 112.8112.6112.7112.8112.7112.7
 Si(4-5-6) 110.3112.9112.9112.9113.0113.1
 Si(5-6-7)  112.7112.6112.8112.8112.9
 Si(6-7-8)  110.5112.7112.8113.0113.0
 Si(7-8-9)   112.7112.7112.8112.9
 Si(8-9-10)   110.5112.8113.0113.0
 Si(9-10-11)    112.7112.7112.8
 Si(10-11-12)    110.5112.9113.0
 Si(11-12-13)     112.5112.7
 Si(12-13-14)     110.6112.9
 Si(13-14-15)      112.5
 Si(14-15-16)      110.9