D---H∙∙∙A | H∙∙∙A (Ǻ) | D∙∙∙A (Ǻ) | LD -H∙∙∙A | Symmetry operation |
---|---|---|---|---|
Complex 1 | ||||
O1W-H1W∙∙∙O4 | 1.83(2) | 2.594(2) | 163(2) | |
O1W-H2W∙∙∙O2 | 1.69(3) | 2.584(2) | 172(2) | |
C3 -H3 ∙∙∙O2 | 2.5400 | 3.255(2) | 134.00 | x,-y,-1/2 + z |
C11-H11∙∙∙O1W | 2.4600 | 2.996(2) | 116.00 | |
C17-H17∙∙∙O1 | 2.4800 | 3.341(2) | 154.00 | 1/2-x,1/2-y,1-z |
C20-H20∙∙∙O3 | 2.4500 | 2.951(2) | 114.00 | |
Complex 2 | ||||
O1W-H1W∙∙∙O4 | 1.90(4) | 2.633(4) | 158(4) | |
O1W-H2W∙∙∙O2 | 1.62(4) | 2.578(4) | 172(3) | |
C8 -H8 ∙∙∙O1 | 2.4900 | 3.293(3) | 145.00 | 1-x,1-y,1-z |
C9 -H9 ∙∙∙Cl1 | 2.8000 | 3.704(4) | 164.00 | -1 + x,y,z |
C11-H11∙∙∙O1W | 2.6000 | 3.087(4) | 113.00 | |
C12-H12∙∙∙O4 | 2.5200 | 3.234(4) | 134.00 | 1-x,1/2 + y,1/2-z |
C18-H18∙∙∙O2 | 2.3900 | 3.298(4) | 165.00 | x,3/2-y,1/2 + z |
C20-H20∙∙∙O3 | 2.5200 | 2.987(3) | 112.00 | |
Complex 3 | ||||
O1W-H1W∙∙∙O2 | 1.86(5) | 2.556(4) | 155(5) | |
O1W-H2W∙∙∙O6 | 1.98(5) | 2.798(4) | 172(5) | -x,-y,1-z |
O3 -H3A∙∙∙O2W | 1.67(5) | 2.624(4) | 175(3) | x,y,1 + z |
O2W-H3W∙∙∙O2 | 2.01(5) | 2.747(3) | 174(6) | |
O4 -H4A∙∙∙O5 | 1.94(5) | 2.634(3) | 163(6) | -1 + x,y,z |
O2W-H4W∙∙∙O7 | 2.09(5) | 2.883(4) | 159(5) | 1-x,-y,1-z |
C6 -H6 ∙∙∙O1 | 2.5400 | 3.016(3) | 112.00 | |
C17-H17∙∙∙O4 | 2.5200 | 3.421(4) | 162.00 | -1-x,-y,2-z |
Complex 4 | ||||
C1 -H1 ∙∙∙O11 | 2.5100 | 3.200(14) | 131.00 | 1-x,1-y,1-z |
C3 -H3 ∙∙∙Cl1 | 2.8200 | 3.424(10) | 124.00 | -1 + x,y,z |
C4 -H4 ∙∙∙O2 | 2.3900 | 3.222(10) | 148.00 | 1-x,1-y,1-z |
C7 -H7 ∙∙∙O2 | 2.4900 | 3.376(11) | 159.00 | 1-x,1-y,1-z |
C8 -H8 ∙∙∙O12 | 2.4600 | 3.361(17) | 164.00 | |
C10-H10∙∙∙O1 | 2.5300 | 3.009(12) | 112.00 | |
C19-H19∙∙∙O10 | 2.6000 | 3.309(15) | 134.00 | x,1 + y,z |
C24-H24∙∙∙O7 | 2.5800 | 3.447(16) | 155.00 | 1 + x,y,z |
C29-H29∙∙∙O4 | 2.4100 | 3.084(13) | 129.00 | -x,-y,2-z |
C34-H34∙∙∙O11 | 2.5500 | 3.224(17) | 129.00 | -1 + x,y,z |
C35-H35∙∙∙O3 | 2.5200 | 3.030(13) | 115.00 | |
C37-H37∙∙∙O8 | 2.5900 | 3.457(16) | 156.00 | 1-x,1-y,2-z |
C39-H39∙∙∙O9 | 2.4300 | 3.233(15) | 145.00 | 1-x,-y,1-z |
Complex 5 | ||||
O2 -H12∙∙∙O8 | 1.86(4) | 2.580(4) | 175(7) | 1-x,1-y,-z |
O3 -H13∙∙∙O8 | 1.88(4) | 2.586(4) | 159(4) | x,-1 + y,z |
O7 -H17∙∙∙O5 | 1.86(4) | 2.590(3) | 174(4) | 1-x,y,1/2-z |
O6 -H18∙∙∙O1 | 1.97(4) | 2.683(4) | 165(4) | |
C1 -H1 ∙∙∙O4 | 2.5100 | 2.976(4) | 111.00 | 1-x,1-y,-z |
C7 -H7 ∙∙∙O8 | 2.5400 | 3.189(5) | 127.00 | -1/2 + x,-1/2 + y,z |
C10-H10∙∙∙O3 | 2.5200 | 3.376(5) | 153.00 |