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Summary Geometry Related PDB entries

ZN6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.53Å
C1	H1	sing	0.97Å	1.10Å
C1	H2	sing	0.97Å	1.10Å
C2	SN1	sing	2.13Å	2.14Å
C2	H3	sing	0.94Å	1.10Å
C2	H4	sing	0.94Å	1.10Å
SN1	C3	sing	2.13Å	2.14Å
SN1	CL1	sing	2.37Å	2.15Å
C3	C4	sing	1.51Å	1.52Å
C3	H5	sing	0.95Å	1.10Å
C3	H6	sing	0.95Å	1.10Å
C4	H7	sing	0.97Å	1.10Å
C4	H8	sing	0.97Å	1.10Å
SN1	CL2	sing	2.37Å	1.71Å
C1	H9	sing	0.97Å	1.10Å
C4	H10	sing	0.97Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.5°	109.4°
C1	C2	SN1	112.2°	109.3°
C1	C2	H3	108.8°	109.5°
C1	C2	H4	108.8°	109.6°
C2	C1	H9	109.4°	109.4°
H1	C1	H2	109.5°	109.5°
H1	C1	H9	109.5°	109.6°
H2	C1	H9	109.5°	109.5°
SN1	C2	H3	108.8°	108.8°
SN1	C2	H4	108.8°	109.9°
C2	SN1	C3	107.7°	132.6°
C2	SN1	CL1	97.0°	105.5°
C2	SN1	CL2	126.0°	105.2°
H3	C2	H4	109.5°	109.8°
C3	SN1	CL1	126.8°	105.5°
SN1	C3	C4	108.5°	109.7°
SN1	C3	H5	109.7°	109.3°
SN1	C3	H6	109.7°	109.4°
C3	SN1	CL2	95.6°	105.5°
CL1	SN1	CL2	106.8°	97.2°
C4	C3	H5	109.7°	109.4°
C4	C3	H6	109.7°	109.5°
C3	C4	H7	109.5°	109.4°
C3	C4	H8	109.5°	109.4°
C3	C4	H10	109.5°	109.4°
H5	C3	H6	109.5°	109.5°
H7	C4	H8	109.4°	109.5°
H7	C4	H10	109.5°	109.6°
H8	C4	H10	109.4°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H1	H2	120.0°	119.9°
C2	C1	H1	H9	120.0°	120.0°
C2	C1	H2	H9	120.0°	119.9°
C1	C2	SN1	H3	120.4°	119.5°
C1	C2	SN1	H4	120.4°	120.4°
C1	C2	H3	H4	118.7°	120.4°
C1	C2	SN1	C3	90.8°	179.2°
C1	C2	SN1	CL1	41.5°	51.7°
C1	C2	SN1	CL2	158.2°	50.5°
H1	C1	H2	H9	120.0°	120.2°
H1	C1	C2	SN1	180.0°	54.9°
H1	C1	C2	H3	59.6°	64.1°
H1	C1	C2	H4	59.6°	175.4°
H2	C1	C2	SN1	60.0°	174.8°
H2	C1	C2	H3	60.4°	55.8°
H2	C1	C2	H4	179.6°	64.6°
SN1	C2	H3	H4	118.7°	120.3°
C2	SN1	C3	CL1	113.5°	129.1°
C2	SN1	C3	CL2	130.6°	128.6°
C2	SN1	CL1	CL2	131.0°	108.0°
C2	SN1	C3	C4	17.3°	130.1°
C2	SN1	C3	H5	137.1°	109.9°
C2	SN1	C3	H6	102.6°	9.9°
SN1	C2	C1	H9	60.0°	65.2°
H3	C2	SN1	C3	148.8°	59.7°
H3	C2	SN1	CL1	78.9°	171.1°
H3	C2	SN1	CL2	37.8°	69.0°
H3	C2	C1	H9	179.6°	175.8°
H4	C2	SN1	C3	29.6°	60.4°
H4	C2	SN1	CL1	161.9°	68.7°
H4	C2	SN1	CL2	81.4°	170.8°
H4	C2	C1	H9	60.4°	55.4°
C3	SN1	CL1	CL2	110.7°	108.4°
SN1	C3	C4	H5	119.9°	119.9°
SN1	C3	C4	H6	119.8°	120.1°
SN1	C3	H5	H6	120.4°	119.8°
SN1	C3	C4	H7	180.0°	179.0°
SN1	C3	C4	H8	60.0°	61.0°
SN1	C3	C4	H10	60.0°	59.0°
CL1	SN1	C3	C4	96.3°	100.8°
CL1	SN1	C3	H5	23.6°	19.2°
CL1	SN1	C3	H6	143.9°	139.0°
C4	C3	H5	H6	120.5°	120.0°
C3	C4	H7	H8	120.0°	119.9°
C3	C4	H7	H10	120.0°	119.9°
C3	C4	H8	H10	120.0°	119.9°
C4	C3	SN1	CL2	147.9°	1.5°
H5	C3	C4	H7	60.1°	59.2°
H5	C3	C4	H8	179.9°	179.1°
H5	C3	SN1	CL2	92.2°	121.5°
H5	C3	C4	H10	59.9°	60.9°
H6	C3	C4	H7	60.2°	60.9°
H6	C3	C4	H8	59.8°	59.1°
H6	C3	SN1	CL2	28.0°	118.7°
H6	C3	C4	H10	179.8°	179.1°
H7	C4	H8	H10	119.9°	120.3°

258009

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