Crystallography Open Database

Information card for entry 4500887

Preview

Coordinates	4500887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 Fe N2 O2
Calculated formula	C28 H42 Fe N2 O2
Title of publication	Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts
Authors of publication	Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	3206
a	9.6024 ± 0.0002 Å
b	11.2793 ± 0.0002 Å
c	13.0451 ± 0.0003 Å
α	88.804 ± 0.001°
β	79.869 ± 0.001°
γ	69.421 ± 0.001°
Cell volume	1300.82 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179539 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/08.	4500887.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500887.cif
34673	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500886, 4500887, 4500888, 4500889, 4500890 via cif-deposit CGI script.	4500887.cif