Crystallography Open Database
COD Home
Home
What's new?
Accessing COD Data
Browse
Search
Search by structural formula
JSME search
Add Your Data
Deposit your data
Manage depositions
Manage/release prepublications
Documentation
COD Wiki
Obtaining COD
CC0
License
Privacy and GDPR
Querying COD
Citing COD
COD Mirrors
Advice to donators
Useful links
Information card for entry 3000306
3000305
<<
3000306
>>
3000307
Preview
No preview available: structure is on hold until 2021-11-21
Coordinates
Coordinates are not available: structure is on hold until 2021-11-21
Structure parameters
Chemical name
(R,Sp)-1-(2-(5-fluoro-1-methylindolin-2-yl)ferrocenyl)-N,N-dimethylethan-1-amine
Formula
C23 H25 F Fe N2
Authors of publication
Rakovský, Erik; Šebesta, Radovan
Journal of publication
To be published
a
9.9977 ± 0.0002 Å
b
11.1321 ± 0.0003 Å
c
17.8135 ± 0.0004 Å
α
90°
β
90°
γ
90°
Cell volume
1982.56 ± 0.08 Å
3
Cell temperature
100 K
Ambient diffraction temperature
100 K
Number of distinct elements
5
Residual factor for all reflections
0.0238
Residual factor for significantly intense reflections
0.023
Weighted residual factors for significantly intense reflections
0.0566
Weighted residual factors for all reflections included in the refinement
0.057
Goodness-of-fit parameter for all reflections included in the refinement
1.053
Diffraction radiation probe
x-ray
Diffraction radiation wavelength
1.54186 Å
Diffraction radiation type
CuKα
Has coordinates
No
Has disorder
No
Has F
obs
No
Version history
Not available for prepublication material.