Crystallography Open Database

Information card for entry 4505842

Preview

Coordinates	4505842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H58 Fe1.5 N3 O10
Calculated formula	C56 H57 Fe1.5 N3 O10
Title of publication	Self-Assembly of Discrete Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Terephthalic and Trimesic Acids
Authors of publication	Shin, Dong Mok; Chung, Young Keun; Lee, In Su
Journal of publication	Crystal Growth & Design
Year of publication	2002
Journal volume	2
Journal issue	6
Pages of publication	493
a	13.0232 ± 0.0005 Å
b	23.4426 ± 0.0007 Å
c	33.1664 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	10125.6 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1877
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.222
Weighted residual factors for all reflections included in the refinement	0.2875
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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.	4505842.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505842.cif
53951	2012-04-20	cif/ Adding structures of 4505841, 4505842 via cif-deposit CGI script.	4505842.cif