UF8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C10	sing	1.43Å	1.38Å
O11	C12	sing	1.43Å	1.38Å
C10	C9	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.53Å
C9	N8	sing	1.47Å	1.46Å
C13	N8	sing	1.47Å	1.47Å
N8	C6	sing	1.38Å	1.45Å
C23	C24	doub	1.38Å	1.39Å	Aromatic
C23	C22	sing	1.38Å	1.39Å	Aromatic
C6	C7	doub	1.36Å	1.38Å
C6	O5	sing	1.34Å	1.30Å
C24	C25	sing	1.40Å	1.40Å	Aromatic
C7	C2	sing	1.41Å	1.42Å
C22	C21	doub	1.38Å	1.39Å	Aromatic
O5	C4	sing	1.35Å	1.30Å
C25	S26	sing	1.75Å	1.82Å
C25	C20	doub	1.38Å	1.38Å	Aromatic
C2	O1	doub	1.22Å	1.40Å
C2	C3	sing	1.42Å	1.42Å
S26	C27	sing	1.75Å	1.82Å
C21	C20	sing	1.40Å	1.40Å	Aromatic
C4	C3	doub	1.36Å	1.38Å
C4	C14	sing	1.47Å	1.53Å
C20	S19	sing	1.75Å	1.82Å
C14	C27	doub	1.41Å	1.40Å	Aromatic
C14	C15	sing	1.39Å	1.39Å	Aromatic
C27	C18	sing	1.38Å	1.38Å	Aromatic
C15	C16	doub	1.38Å	1.39Å	Aromatic
C18	S19	sing	1.75Å	1.82Å
C18	C17	doub	1.40Å	1.40Å	Aromatic
C16	C17	sing	1.38Å	1.39Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C21	H13	sing	1.08Å	1.08Å
C22	H14	sing	1.08Å	1.08Å
C24	H15	sing	1.08Å	1.08Å
C17	H16	sing	1.08Å	1.08Å
C23	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O11	C12	112.3°	114.2°
O11	C10	C9	112.4°	109.2°
O11	C10	H5	108.8°	109.5°
O11	C10	H6	108.7°	109.6°
O11	C12	C13	112.4°	109.2°
O11	C12	H7	108.7°	109.5°
O11	C12	H8	108.7°	109.6°
C10	C9	N8	113.5°	108.4°
C10	C9	H3	108.4°	109.7°
C10	C9	H4	108.4°	109.7°
C9	C10	H5	108.7°	109.5°
C9	C10	H6	108.7°	109.4°
C12	C13	N8	113.9°	108.4°
C13	C12	H7	108.8°	109.5°
C13	C12	H8	108.7°	109.5°
C12	C13	H9	108.4°	109.7°
C12	C13	H10	108.3°	109.6°
C9	N8	C13	112.8°	118.1°
C9	N8	C6	123.9°	121.0°
N8	C9	H3	108.5°	109.7°
N8	C9	H4	108.5°	109.7°
C13	N8	C6	123.3°	121.0°
N8	C13	H9	108.3°	109.7°
N8	C13	H10	108.4°	109.7°
N8	C6	C7	119.4°	119.6°
N8	C6	O5	118.3°	119.6°
C24	C23	C22	120.3°	119.7°
C23	C24	C25	119.5°	121.0°
C23	C24	H15	120.2°	119.5°
C24	C23	H17	119.9°	120.2°
C23	C22	C21	120.1°	119.8°
C23	C22	H14	120.0°	120.1°
C22	C23	H17	119.9°	120.1°
C7	C6	O5	122.3°	120.9°
C6	C7	C2	118.0°	119.1°
C6	C7	H2	121.0°	120.4°
C6	O5	C4	122.8°	121.8°
C24	C25	S26	120.6°	117.5°
C24	C25	C20	120.3°	119.3°
C25	C24	H15	120.2°	119.5°
C7	C2	O1	121.5°	120.8°
C7	C2	C3	116.9°	118.4°
C2	C7	H2	121.0°	120.5°
C22	C21	C20	119.7°	120.9°
C22	C21	H13	120.2°	119.6°
C21	C22	H14	120.0°	120.1°
O5	C4	C3	120.4°	120.8°
O5	C4	C14	119.5°	119.6°
S26	C25	C20	119.1°	123.2°
C25	S26	C27	111.5°	105.8°
C25	C20	C21	120.2°	119.3°
C25	C20	S19	119.2°	123.3°
O1	C2	C3	121.6°	120.8°
C2	C3	C4	119.6°	119.0°
C2	C3	H1	120.2°	120.5°
S26	C27	C14	121.3°	117.5°
S26	C27	C18	118.8°	123.3°
C21	C20	S19	120.7°	117.4°
C20	C21	H13	120.1°	119.6°
C3	C4	C14	120.0°	119.6°
C4	C3	H1	120.2°	120.5°
C4	C14	C27	121.0°	119.7°
C4	C14	C15	119.4°	119.8°
C20	S19	C18	111.2°	105.8°
C27	C14	C15	119.6°	120.6°
C14	C27	C18	119.9°	119.2°
C14	C15	C16	120.2°	119.6°
C14	C15	H11	119.9°	120.2°
C27	C18	S19	119.4°	123.2°
C27	C18	C17	120.3°	119.4°
C15	C16	C17	120.1°	120.0°
C16	C15	H11	119.9°	120.2°
C15	C16	H12	119.9°	120.0°
S19	C18	C17	120.3°	117.4°
C18	C17	C16	119.8°	121.2°
C18	C17	H16	120.1°	119.4°
C17	C16	H12	119.9°	120.0°
C16	C17	H16	120.1°	119.4°
H3	C9	H4	109.5°	109.6°
H5	C10	H6	109.5°	109.5°
H7	C12	H8	109.5°	109.6°
H9	C13	H10	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C10	C9	H5	120.5°	120.0°
O11	C10	C9	H6	120.4°	120.0°
C10	O11	C12	C13	58.1°	62.5°
O11	C10	C9	N8	50.2°	52.3°
O11	C10	C9	H3	170.8°	172.0°
O11	C10	C9	H4	70.4°	67.5°
O11	C10	H5	H6	118.7°	120.2°
C10	O11	C12	H7	178.6°	57.3°
C10	O11	C12	H8	62.3°	177.5°
C12	O11	C10	C9	58.7°	62.5°
O11	C12	C13	H7	120.4°	119.8°
O11	C12	C13	H8	120.4°	120.0°
O11	C12	C13	N8	49.3°	52.3°
C12	O11	C10	H5	61.7°	177.5°
C12	O11	C10	H6	179.1°	57.3°
O11	C12	H7	H8	118.6°	120.2°
O11	C12	C13	H9	71.3°	67.5°
O11	C12	C13	H10	170.0°	172.0°
C10	C9	N8	H3	120.6°	119.8°
C10	C9	N8	H4	120.6°	119.7°
C10	C9	N8	C13	41.3°	50.5°
C10	C9	N8	C6	139.9°	129.5°
C10	C9	H3	H4	118.1°	120.5°
C9	C10	H5	H6	118.6°	120.0°
C12	C13	N8	C9	41.0°	50.5°
C12	C13	N8	H9	120.6°	119.8°
C12	C13	N8	H10	120.7°	119.7°
C12	C13	N8	C6	140.2°	129.5°
C13	C12	H7	H8	118.7°	120.2°
C12	C13	H9	H10	118.0°	120.5°
C9	N8	C13	C6	178.8°	180.0°
C9	N8	C6	C7	2.7°	29.9°
C9	N8	C6	O5	177.7°	150.1°
N8	C9	H3	H4	118.2°	120.5°
N8	C9	C10	H5	70.2°	172.2°
N8	C9	C10	H6	170.7°	67.7°
C9	N8	C13	H9	79.6°	69.2°
C9	N8	C13	H10	161.7°	170.2°
C13	N8	C6	C7	175.9°	150.1°
C13	N8	C6	O5	3.7°	29.9°
C13	N8	C9	H3	161.9°	170.3°
C13	N8	C9	H4	79.3°	69.2°
N8	C13	C12	H7	169.7°	67.6°
N8	C13	C12	H8	71.1°	172.2°
N8	C13	H9	H10	118.0°	120.6°
N8	C6	C7	O5	179.6°	180.0°
N8	C6	C7	C2	179.9°	180.0°
N8	C6	O5	C4	179.6°	179.8°
N8	C6	C7	H2	0.2°	0.1°
C6	N8	C9	H3	19.3°	9.7°
C6	N8	C9	H4	99.5°	110.8°
C6	N8	C13	H9	99.1°	110.8°
C6	N8	C13	H10	19.6°	9.8°
C24	C23	C22	H17	180.0°	180.0°
C23	C24	C25	H15	180.0°	180.0°
C24	C23	C22	C21	0.1°	0.0°
C23	C24	C25	S26	179.9°	180.0°
C23	C24	C25	C20	0.0°	0.0°
C24	C23	C22	H14	179.9°	180.0°
C22	C23	C24	C25	0.1°	0.0°
C23	C22	C21	H14	180.0°	180.0°
C23	C22	C21	C20	0.0°	0.0°
C23	C22	C21	H13	180.0°	180.0°
C22	C23	C24	H15	180.0°	180.0°
C6	C7	C2	H2	180.0°	179.9°
C7	C6	O5	C4	0.8°	0.2°
C6	C7	C2	O1	179.9°	180.0°
C6	C7	C2	C3	0.0°	0.2°
O5	C6	C7	C2	0.3°	0.0°
C6	O5	C4	C3	0.9°	0.2°
C6	O5	C4	C14	179.9°	180.0°
O5	C6	C7	H2	179.7°	180.0°
C24	C25	S26	C20	179.8°	180.0°
C24	C25	S26	C27	144.4°	150.0°
C24	C25	C20	C21	0.0°	0.0°
C24	C25	C20	S19	179.9°	180.0°
C25	C24	C23	H17	179.9°	180.0°
C7	C2	O1	C3	179.9°	179.8°
C7	C2	C3	C4	0.1°	0.2°
C7	C2	C3	H1	179.9°	179.8°
C22	C21	C20	C25	0.0°	0.0°
C22	C21	C20	H13	180.0°	180.0°
C22	C21	C20	S19	179.9°	179.9°
C21	C22	C23	H17	179.9°	180.0°
O5	C4	C3	C2	0.6°	0.1°
O5	C4	C3	C14	179.2°	179.8°
O5	C4	C14	C27	49.3°	56.6°
O5	C4	C14	C15	130.5°	123.2°
O5	C4	C3	H1	179.4°	180.0°
S26	C25	C20	C21	179.8°	180.0°
S26	C25	C20	S19	0.0°	0.1°
C25	S26	C27	C14	144.5°	150.0°
C25	S26	C27	C18	35.4°	29.9°
S26	C25	C24	H15	0.2°	0.0°
C20	C25	S26	C27	35.4°	30.0°
C25	C20	C21	S19	179.9°	179.9°
C25	C20	S19	C18	35.3°	29.9°
C25	C20	C21	H13	180.0°	180.0°
C20	C25	C24	H15	180.0°	180.0°
O1	C2	C3	C4	179.8°	180.0°
O1	C2	C3	H1	0.2°	0.0°
O1	C2	C7	H2	0.1°	0.0°
C2	C3	C4	H1	180.0°	180.0°
C2	C3	C4	C14	179.8°	179.8°
C3	C2	C7	H2	180.0°	179.7°
S26	C27	C14	C4	0.2°	0.3°
S26	C27	C14	C18	180.0°	179.9°
S26	C27	C14	C15	179.9°	179.9°
S26	C27	C18	S19	0.1°	0.1°
S26	C27	C18	C17	179.9°	179.9°
C21	C20	S19	C18	144.6°	150.0°
C20	C21	C22	H14	180.0°	180.0°
C3	C4	C14	C27	131.5°	123.3°
C3	C4	C14	C15	48.7°	56.9°
C4	C14	C27	C15	179.7°	179.8°
C4	C14	C27	C18	179.8°	179.7°
C4	C14	C15	C16	179.8°	179.7°
C14	C4	C3	H1	0.3°	0.2°
C4	C14	C15	H11	0.1°	0.2°
C20	S19	C18	C27	35.2°	30.0°
C20	S19	C18	C17	144.6°	150.0°
S19	C20	C21	H13	0.1°	0.0°
C27	C14	C15	C16	0.1°	0.1°
C14	C27	C18	S19	179.9°	180.0°
C14	C27	C18	C17	0.0°	0.0°
C27	C14	C15	H11	179.9°	180.0°
C15	C14	C27	C18	0.0°	0.0°
C14	C15	C16	H11	180.0°	179.9°
C14	C15	C16	C17	0.1°	0.1°
C14	C15	C16	H12	179.8°	179.9°
C27	C18	S19	C17	179.9°	180.0°
C27	C18	C17	C16	0.1°	0.0°
C27	C18	C17	H16	179.9°	180.0°
C15	C16	C17	C18	0.1°	0.1°
C15	C16	C17	H12	180.0°	179.8°
C15	C16	C17	H16	179.9°	180.0°
S19	C18	C17	C16	180.0°	180.0°
S19	C18	C17	H16	0.0°	0.0°
C18	C17	C16	H16	180.0°	179.9°
C18	C17	C16	H12	179.8°	179.9°
C17	C16	C15	H11	179.8°	180.0°
H3	C9	C10	H5	50.4°	68.0°
H3	C9	C10	H6	68.7°	52.1°
H4	C9	C10	H5	169.2°	52.5°
H4	C9	C10	H6	50.1°	172.6°
H7	C12	C13	H9	49.1°	172.7°
H7	C12	C13	H10	69.6°	52.2°
H8	C12	C13	H9	168.2°	52.5°
H8	C12	C13	H10	49.5°	68.0°
H11	C15	C16	H12	0.2°	0.2°
H12	C16	C17	H16	0.2°	0.2°
H13	C21	C22	H14	0.0°	0.0°
H14	C22	C23	H17	0.1°	0.0°
H15	C24	C23	H17	0.1°	0.0°

Release date:	2021-09-01
Definition date:	2021-02-12
Last modified:	2021-08-27
Release status:	REL
Processing site:	PDBE
Derived from:	7NI5