A. 6. Vergleich der internen Koordinaten von Kristall- und ESFF-Struktur ausgewählter Komplexe des Typs ML6 (Nummerierung siehe A. 3).

27 22 19

Krist. ESFF Krist. ESFF Krist. ESFF

Sn-O2 2.042 2.057 Re-S1 2.326 2.378 V-S1 2.315 2.372

Sn-N1 2.111 2.143 Re-N1 2.122 2.085 V-N11 2.098 2.071

Sn-O1 2.065 2.041 Re-O2 2.029 2.015 V-O1 1.937 1.980

Sn-O4 2.048 2.060 Re-S2 2.317 2.386 V-S2 2.324 2.372

Sn-N3 2.100 2.144 Re-N3 2.220 2.098 V-N21 2.096 2.071

Sn-O3 2.073 2.042 Re-O1 1.684 1.510 V-O2 1.949 1.980

C4-O2 1.314 1.343 C1-S1 1.783 1.807 C11-S1 1.732 1.778

C2=N1 1.328 1.333 N1-N2 1.396 1.305 N11-N12 1.380 1.310

N1-N2 1.401 1.328 C2-N1 1.290 1.325 C12-N11 1.360 1.340

C1-O1 1.314 1.338 C4-O2 1.326 1.342 C14-O1 1.280 1.336

C8-O4 1.325 1.342 S2-C15 1.743 1.807 C21-S2 1.730 1.778

C6=N3 1.317 1.328 N3-N4 1.439 1.467 N21-N22 1.390 1.310

N3-N4 1.395 1.327 C16=N3 1.251 1.279 C22-N21 1.360 1.340

C5-O3 1.324 1.339 C24-O2 1.290 1.336

O2-Sn-N1 88.5 92.6 S1-Re-N1 78.2 78.9 S1-V-N11 76.6 67.3

O2-Sn-O1 164.5 170.9 S1-Re-O2 102.3 92.0 S1-V-O1 130.4 117.1

O2-Sn-O4 88.5 90.2 S1-Re-S2 97.0 99.9 S1-V-S2 133.8 136.3

O2-Sn-N3 98.1 92.4 S1-Re-N3 177.1 170.7 S1-V-N21 87.5 91.0

O2-Sn-O3 90.9 90.6 S1-Re-O1 98.4 89.5 S1-V-O2 85.5 92.5

N1-Sn-O1 76.3 78.3 N1-Re-O2 78.3 87.7 N11-V-O1 84.1 82.1

N1-Sn-O4 99.7 92.1 N1-Re-S2 160.3 177.6 N11-V-S2 83.9 88.6

N1-Sn-N3 169.8 172.3 N1-Re-N3 102.7 100.9 N11-V-N21 133.8 136.0

N1-Sn-O3 95.7 97.0 N1-Re-O1 95.8 92.7 N11-V-O2 136.4 136.0

O1-Sn-O4 91.1 90.2 O2-Re-S2 84.2 90.3 O1-V-S2 87.6 93.5

O1-Sn-N3 97.4 96.7 O2-Re-N3 75.2 89.2 O1-V-N21 135.3 141.0

O1-Sn-O3 93.5 90.4 O2-Re-O1 156.7 178.5 O1-V-O2 78.0 72.8

O4-Sn-N3 88.3 93.1 S2-Re-N3 81.3 80.3 S2-V-N21 76.5 81.7

O4-Sn-O3 164.5 170.8 S2-Re-O1 103.8 89.4 S2-V-O2 133.8 127.7

N3-Sn-O3 76.5 77.7 N3-Re-O1 84.2 89.2 N21-V-O2 83.6 79.8

Sn-O2-C4 126.2 121.9 Re-S1-C1 97.0 89.6 V-S1-C11 101.1 87.3

Sn-N1-C2 127.9 125.3 Re-N1-N2 119.7 111.4 V-N11-N12 123.5 109.5

Sn-N1-N2 114.9 109.4 Re-N1-C2 127.7 116.4 V-N11-C12 122.7 132.6

Sn-O1-C1 112.3 114.9 Re-O2-C4 127.5 118.5 V-O1-C14 126.8 136.1

Sn-O4-C8 126.2 122.2 Re-S2-C15 99.4 93.5 V-S2-C21 101.8 90.7

Sn-N3-C6 128.6 124.6 Re-N3-N4 116.2 109.6 V-N21-N22 124.2 109.9

Sn-N3-N4 114.4 110.2 Re-N3-C16 124.4 118.8 V-N21-C22 123.2 127.8

Sn-O3-C5 113.2 115.3 V-O2-C24 127.8 131.1

zurück / weiter

A. 1 / A. 2 / A. 3 / A. 4 / A. 5 / A. 6 / A. 7

	27			22			19
	Krist.	ESFF		Krist.	ESFF		Krist.	ESFF
Sn-O2	2.042	2.057	Re-S1	2.326	2.378	V-S1	2.315	2.372
Sn-N1	2.111	2.143	Re-N1	2.122	2.085	V-N11	2.098	2.071
Sn-O1	2.065	2.041	Re-O2	2.029	2.015	V-O1	1.937	1.980
Sn-O4	2.048	2.060	Re-S2	2.317	2.386	V-S2	2.324	2.372
Sn-N3	2.100	2.144	Re-N3	2.220	2.098	V-N21	2.096	2.071
Sn-O3	2.073	2.042	Re-O1	1.684	1.510	V-O2	1.949	1.980
C4-O2	1.314	1.343	C1-S1	1.783	1.807	C11-S1	1.732	1.778
C2=N1	1.328	1.333	N1-N2	1.396	1.305	N11-N12	1.380	1.310
N1-N2	1.401	1.328	C2-N1	1.290	1.325	C12-N11	1.360	1.340
C1-O1	1.314	1.338	C4-O2	1.326	1.342	C14-O1	1.280	1.336
C8-O4	1.325	1.342	S2-C15	1.743	1.807	C21-S2	1.730	1.778
C6=N3	1.317	1.328	N3-N4	1.439	1.467	N21-N22	1.390	1.310
N3-N4	1.395	1.327	C16=N3	1.251	1.279	C22-N21	1.360	1.340
C5-O3	1.324	1.339				C24-O2	1.290	1.336

O2-Sn-N1	88.5	92.6	S1-Re-N1	78.2	78.9	S1-V-N11	76.6	67.3
O2-Sn-O1	164.5	170.9	S1-Re-O2	102.3	92.0	S1-V-O1	130.4	117.1
O2-Sn-O4	88.5	90.2	S1-Re-S2	97.0	99.9	S1-V-S2	133.8	136.3
O2-Sn-N3	98.1	92.4	S1-Re-N3	177.1	170.7	S1-V-N21	87.5	91.0
O2-Sn-O3	90.9	90.6	S1-Re-O1	98.4	89.5	S1-V-O2	85.5	92.5
N1-Sn-O1	76.3	78.3	N1-Re-O2	78.3	87.7	N11-V-O1	84.1	82.1
N1-Sn-O4	99.7	92.1	N1-Re-S2	160.3	177.6	N11-V-S2	83.9	88.6
N1-Sn-N3	169.8	172.3	N1-Re-N3	102.7	100.9	N11-V-N21	133.8	136.0
N1-Sn-O3	95.7	97.0	N1-Re-O1	95.8	92.7	N11-V-O2	136.4	136.0
O1-Sn-O4	91.1	90.2	O2-Re-S2	84.2	90.3	O1-V-S2	87.6	93.5
O1-Sn-N3	97.4	96.7	O2-Re-N3	75.2	89.2	O1-V-N21	135.3	141.0
O1-Sn-O3	93.5	90.4	O2-Re-O1	156.7	178.5	O1-V-O2	78.0	72.8
O4-Sn-N3	88.3	93.1	S2-Re-N3	81.3	80.3	S2-V-N21	76.5	81.7
O4-Sn-O3	164.5	170.8	S2-Re-O1	103.8	89.4	S2-V-O2	133.8	127.7
N3-Sn-O3	76.5	77.7	N3-Re-O1	84.2	89.2	N21-V-O2	83.6	79.8
Sn-O2-C4	126.2	121.9	Re-S1-C1	97.0	89.6	V-S1-C11	101.1	87.3
Sn-N1-C2	127.9	125.3	Re-N1-N2	119.7	111.4	V-N11-N12	123.5	109.5
Sn-N1-N2	114.9	109.4	Re-N1-C2	127.7	116.4	V-N11-C12	122.7	132.6
Sn-O1-C1	112.3	114.9	Re-O2-C4	127.5	118.5	V-O1-C14	126.8	136.1
Sn-O4-C8	126.2	122.2	Re-S2-C15	99.4	93.5	V-S2-C21	101.8	90.7
Sn-N3-C6	128.6	124.6	Re-N3-N4	116.2	109.6	V-N21-N22	124.2	109.9
Sn-N3-N4	114.4	110.2	Re-N3-C16	124.4	118.8	V-N21-C22	123.2	127.8
Sn-O3-C5	113.2	115.3				V-O2-C24	127.8	131.1