ed@ed Team Member :
Date : 27/8/15
Job Name : BZ_14033_25059_Q34
Empirical Formula : H6 C6
Structure Type : rhn

r-factors

RG16.35%
RD10.82%

Independent parameters

ParameterValuee.s.d.Original
p1 rCC1.39607.001121.39750
p2 rCH1.10815.007521.09000

Amplitudes of vibration

AmplitudeDistance (ra) (pm)e.s.d. (pm)Distance (rh) (pm)e.s.d. (pm)u-Value (pm)e.s.d. (pm)Mult.k-Value (pm)Anharmonicity (pm-1)AreaOrig. u-Value (pm)
u1 C(1)-H(7)110.3786.7576.7576.75769.27501.39496.00.3400.020021.17.3400
u2 C(1)-C(2)139.5153.1118.1118.11184.5967.40216.00.0600.0200100.04.4300
u3 C(1)...H(8)216.9162.6411.6411.64118.9979.982912.00-.0600.000021.49.4300
u4 C(1)...C(3)241.4561.1936.1936.19366.4063.41336.00-.1800.000057.85.2300
u5 H(7)...H(8)250.0314.7711250.4216.771115.1800(fixed)6.00.5300.00001.515.1800
u6 C(1)...C(4)278.7059.2237.2237.22378.8027.67163.00-.2300.000025.05.8200
u7 C(1)...H(9)341.1487.7428.7428.742811.4047.667312.00-.7600.000013.69.0600
u8 C(1)...H(10)388.7294.8001.8001.80019.4496.79826.00-1.0700.00006.08.9900
u9 H(7)...H(9)432.15901.3317433.74291.331712.3900(fixed)6.00-1.2300.0000.912.3900
u10 H(7)...H(10)498.50781.5373500.84321.537311.3100(fixed)3.00-2.0800.0000.411.3100

Non-ed Data

NameTypeValueCalculatedDifferenceUncertainty
u7Amplitude.09060.11405-.02345.00900
u8Amplitude.08990.09450-.00460.00900

Experimental datasets

DatasetRGRDScale Factor, ke.s.d.Corr. Parameterdel-s (nm-1)smin (nm-1)sw1 (nm-1)sw2 (nm-1)smax (nm-1)Camera Dist.
(mm)
Electron Wavelength
(pm)
short16.88%10.09%.5667.0196.48912.0052.0068.00228.00250.00140.33006.4500
long15.94%11.34%.5595.0140.49512.0028.0048.00128.00140.00250.59006.4500

Least Squares Correlation Matrix

p1p2u1u2u3u4u6u7u8k1k2
p1100
p2100-54
u1100
u210072
u310054
u410057
u6100
u7100
u8100
k1100
k2100