Crystallography Open Database

Information card for entry 1515037

Preview

Coordinates	1515037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H172 Cl14 Fe2 N10 O34
Calculated formula	C152 H172 Cl14 Fe2 N10 O34
Title of publication	Solution and surface-confined chloride anion templated redox-active ferrocene catenanes
Authors of publication	Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	4
Pages of publication	1080
a	15.7014 ± 0.0011 Å
b	18.6485 ± 0.0008 Å
c	28.3126 ± 0.0016 Å
α	98.202 ± 0.004°
β	99.703 ± 0.005°
γ	102.308 ± 0.005°
Cell volume	7845.3 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1313
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for all reflections	0.1713
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1707
Goodness-of-fit parameter for all reflections included in the refinement	0.9936
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515037.cif
110846	2014-04-20	cif/ Adding structures of 1515035, 1515036, 1515037, 1515038 via cif-deposit CGI script.	1515037.cif