Crystallography Open Database

Information card for entry 4503042

Preview

Coordinates	4503042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 Fe N2 O5
Calculated formula	C5 H4 Fe N2 O5
Title of publication	Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains
Authors of publication	Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	192
a	7.1368 ± 0.0018 Å
b	13.564 ± 0.003 Å
c	13.981 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1353.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
179561 (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 4/50/30.	4503042.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503042.cif
41306	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503042 via cif-deposit CGI script.	4503042.cif