H3B
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O04 | S01 | doub | 1.42Å | 1.51Å | |
O05 | S01 | doub | 1.42Å | 1.51Å | |
C06 | C07 | sing | 1.53Å | 1.52Å | |
C06 | SI1 | sing | 1.86Å | 1.90Å | |
S01 | C11 | sing | 1.81Å | 1.82Å | |
S01 | O03 | sing | 1.52Å | 1.51Å | |
C11 | C07 | sing | 1.53Å | 1.53Å | |
C09 | SI1 | sing | 1.86Å | 1.89Å | |
C10 | SI1 | sing | 1.86Å | 1.89Å | |
SI1 | C08 | sing | 1.86Å | 1.89Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C06 | H4 | sing | 1.09Å | 1.10Å | |
C06 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
C09 | H11 | sing | 1.09Å | 1.10Å | |
C09 | H12 | sing | 1.09Å | 1.10Å | |
C09 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
O03 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O04 | S01 | O05 | 101.3° | 121.0° |
O04 | S01 | C11 | 110.1° | 110.5° |
O04 | S01 | O03 | 111.9° | 104.3° |
O05 | S01 | C11 | 111.9° | 110.6° |
O05 | S01 | O03 | 111.0° | 104.3° |
C07 | C06 | SI1 | 109.9° | 109.4° |
C06 | C07 | C11 | 108.9° | 109.5° |
C07 | C06 | H4 | 109.4° | 109.5° |
C07 | C06 | H5 | 109.4° | 109.5° |
C06 | C07 | H6 | 109.6° | 109.5° |
C06 | C07 | H7 | 109.6° | 109.5° |
C06 | SI1 | C09 | 110.0° | 109.5° |
C06 | SI1 | C10 | 109.0° | 109.5° |
C06 | SI1 | C08 | 110.0° | 109.5° |
SI1 | C06 | H4 | 109.3° | 109.5° |
SI1 | C06 | H5 | 109.3° | 109.4° |
C11 | S01 | O03 | 110.3° | 104.5° |
S01 | C11 | C07 | 109.4° | 109.5° |
S01 | C11 | H14 | 109.5° | 109.5° |
S01 | C11 | H15 | 109.5° | 109.5° |
S01 | O03 | H16 | 109.5° | 114.0° |
C11 | C07 | H6 | 109.6° | 109.4° |
C11 | C07 | H7 | 109.6° | 109.5° |
C07 | C11 | H14 | 109.5° | 109.4° |
C07 | C11 | H15 | 109.5° | 109.5° |
C09 | SI1 | C10 | 109.6° | 109.5° |
C09 | SI1 | C08 | 108.8° | 109.5° |
SI1 | C09 | H11 | 109.5° | 109.5° |
SI1 | C09 | H12 | 109.5° | 109.5° |
SI1 | C09 | H13 | 109.4° | 109.5° |
C10 | SI1 | C08 | 109.5° | 109.5° |
SI1 | C10 | H1 | 109.5° | 109.4° |
SI1 | C10 | H2 | 109.5° | 109.5° |
SI1 | C10 | H3 | 109.5° | 109.4° |
SI1 | C08 | H8 | 109.5° | 109.5° |
SI1 | C08 | H9 | 109.5° | 109.4° |
SI1 | C08 | H10 | 109.5° | 109.4° |
H1 | C10 | H2 | 109.5° | 109.5° |
H1 | C10 | H3 | 109.5° | 109.5° |
H2 | C10 | H3 | 109.4° | 109.5° |
H4 | C06 | H5 | 109.5° | 109.5° |
H6 | C07 | H7 | 109.4° | 109.5° |
H8 | C08 | H9 | 109.5° | 109.5° |
H8 | C08 | H10 | 109.4° | 109.5° |
H9 | C08 | H10 | 109.5° | 109.5° |
H11 | C09 | H12 | 109.5° | 109.4° |
H11 | C09 | H13 | 109.5° | 109.5° |
H12 | C09 | H13 | 109.5° | 109.4° |
H14 | C11 | H15 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O04 | S01 | O05 | C11 | 117.3° | 131.5° |
O04 | S01 | O05 | O03 | 119.0° | 116.7° |
O04 | S01 | C11 | O03 | 124.0° | 111.6° |
O04 | S01 | C11 | C07 | 157.5° | 68.4° |
O04 | S01 | C11 | H14 | 37.5° | 171.6° |
O04 | S01 | C11 | H15 | 82.5° | 51.7° |
O04 | S01 | O03 | H16 | 112.4° | 64.0° |
O05 | S01 | C11 | O03 | 124.1° | 111.7° |
O05 | S01 | C11 | C07 | 45.6° | 68.3° |
O05 | S01 | C11 | H14 | 74.3° | 51.6° |
O05 | S01 | C11 | H15 | 165.6° | 171.6° |
O05 | S01 | O03 | H16 | 0.0° | 63.8° |
C07 | C06 | SI1 | H4 | 120.1° | 120.0° |
C07 | C06 | SI1 | H5 | 120.1° | 119.9° |
C06 | C07 | C11 | S01 | 151.9° | 180.0° |
C06 | C07 | C11 | H6 | 119.9° | 119.9° |
C06 | C07 | C11 | H7 | 119.9° | 120.1° |
C07 | C06 | SI1 | C09 | 86.0° | 180.0° |
C07 | C06 | SI1 | C10 | 153.9° | 60.0° |
C07 | C06 | SI1 | C08 | 33.8° | 60.0° |
C07 | C06 | H4 | H5 | 119.8° | 120.0° |
C06 | C07 | H6 | H7 | 120.3° | 120.1° |
C06 | C07 | C11 | H14 | 31.9° | 60.0° |
C06 | C07 | C11 | H15 | 88.2° | 59.9° |
SI1 | C06 | C07 | C11 | 161.0° | 180.0° |
C06 | SI1 | C09 | C10 | 119.8° | 120.0° |
C06 | SI1 | C09 | C08 | 120.6° | 120.0° |
C06 | SI1 | C10 | C08 | 120.4° | 120.0° |
C06 | SI1 | C10 | H1 | 180.0° | 60.0° |
C06 | SI1 | C10 | H2 | 60.0° | 180.0° |
C06 | SI1 | C10 | H3 | 60.0° | 60.0° |
SI1 | C06 | H4 | H5 | 119.8° | 120.0° |
SI1 | C06 | C07 | H6 | 79.1° | 60.1° |
SI1 | C06 | C07 | H7 | 41.1° | 60.0° |
C06 | SI1 | C08 | H8 | 180.0° | 180.0° |
C06 | SI1 | C08 | H9 | 60.0° | 60.0° |
C06 | SI1 | C08 | H10 | 60.0° | 60.0° |
C06 | SI1 | C09 | H11 | 180.0° | 60.0° |
C06 | SI1 | C09 | H12 | 60.0° | 60.0° |
C06 | SI1 | C09 | H13 | 60.0° | 180.0° |
S01 | C11 | C07 | H14 | 120.0° | 120.0° |
S01 | C11 | C07 | H15 | 120.0° | 120.1° |
S01 | C11 | C07 | H6 | 32.0° | 60.1° |
S01 | C11 | C07 | H7 | 88.2° | 59.9° |
S01 | C11 | H14 | H15 | 120.0° | 120.0° |
C11 | S01 | O03 | H16 | 124.6° | 180.0° |
O03 | S01 | C11 | C07 | 78.5° | 180.0° |
O03 | S01 | C11 | H14 | 161.5° | 60.0° |
O03 | S01 | C11 | H15 | 41.5° | 60.0° |
C11 | C07 | C06 | H4 | 78.9° | 60.0° |
C11 | C07 | C06 | H5 | 41.0° | 60.1° |
C11 | C07 | H6 | H7 | 120.3° | 120.0° |
C07 | C11 | H14 | H15 | 120.1° | 120.0° |
C09 | SI1 | C10 | C08 | 119.2° | 120.0° |
C09 | SI1 | C10 | H1 | 59.6° | 60.0° |
C09 | SI1 | C10 | H2 | 60.4° | 60.0° |
C09 | SI1 | C10 | H3 | 179.6° | 180.0° |
C09 | SI1 | C06 | H4 | 34.1° | 60.0° |
C09 | SI1 | C06 | H5 | 153.9° | 60.1° |
C09 | SI1 | C08 | H8 | 59.4° | 60.0° |
C09 | SI1 | C08 | H9 | 179.4° | 60.0° |
C09 | SI1 | C08 | H10 | 60.6° | 180.0° |
SI1 | C09 | H11 | H12 | 120.0° | 120.0° |
SI1 | C09 | H11 | H13 | 120.0° | 120.1° |
SI1 | C09 | H12 | H13 | 120.0° | 120.0° |
SI1 | C10 | H1 | H2 | 120.0° | 120.0° |
SI1 | C10 | H1 | H3 | 120.0° | 119.9° |
SI1 | C10 | H2 | H3 | 120.0° | 120.0° |
C10 | SI1 | C06 | H4 | 86.1° | 60.0° |
C10 | SI1 | C06 | H5 | 33.8° | 180.0° |
C10 | SI1 | C08 | H8 | 60.3° | 60.0° |
C10 | SI1 | C08 | H9 | 59.7° | 180.0° |
C10 | SI1 | C08 | H10 | 179.7° | 60.0° |
C10 | SI1 | C09 | H11 | 60.3° | 60.0° |
C10 | SI1 | C09 | H12 | 179.8° | 180.0° |
C10 | SI1 | C09 | H13 | 59.8° | 60.0° |
C08 | SI1 | C10 | H1 | 59.6° | 180.0° |
C08 | SI1 | C10 | H2 | 179.6° | 60.0° |
C08 | SI1 | C10 | H3 | 60.4° | 60.0° |
C08 | SI1 | C06 | H4 | 153.9° | 180.0° |
C08 | SI1 | C06 | H5 | 86.2° | 60.0° |
SI1 | C08 | H8 | H9 | 120.0° | 120.0° |
SI1 | C08 | H8 | H10 | 120.0° | 120.0° |
SI1 | C08 | H9 | H10 | 120.0° | 120.0° |
C08 | SI1 | C09 | H11 | 59.4° | 180.0° |
C08 | SI1 | C09 | H12 | 60.6° | 60.0° |
C08 | SI1 | C09 | H13 | 179.4° | 59.9° |
H1 | C10 | H2 | H3 | 120.0° | 120.1° |
H4 | C06 | C07 | H6 | 41.0° | 59.9° |
H4 | C06 | C07 | H7 | 161.1° | 180.0° |
H5 | C06 | C07 | H6 | 160.9° | 180.0° |
H5 | C06 | C07 | H7 | 79.0° | 59.9° |
H6 | C07 | C11 | H14 | 88.0° | 180.0° |
H6 | C07 | C11 | H15 | 151.9° | 60.0° |
H7 | C07 | C11 | H14 | 151.8° | 60.0° |
H7 | C07 | C11 | H15 | 31.8° | 180.0° |
H8 | C08 | H9 | H10 | 120.0° | 120.1° |
H11 | C09 | H12 | H13 | 120.0° | 120.0° |