Crystallography Open Database

Information card for entry 4505721

Preview

Coordinates	4505721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Fe0.5 N O3
Calculated formula	C26 H30 Fe0.5 N O3
Title of publication	Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids
Authors of publication	Lee, In Su; Shin, Dong Mok; Chung, Young Keun
Journal of publication	Crystal Growth & Design
Year of publication	2003
Journal volume	3
Journal issue	4
Pages of publication	521
a	8.0056 ± 0.0009 Å
b	10.0879 ± 0.0012 Å
c	28.566 ± 0.002 Å
α	90.016 ± 0.009°
β	91.989 ± 0.008°
γ	90.023 ± 0.009°
Cell volume	2305.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4505721.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505721.cif
53714	2012-04-20	cif/ Adding structures of 4505721 via cif-deposit CGI script.	4505721.cif