Crystallography Open Database

Information card for entry 4507303

Preview

Coordinates	4507303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H21 Fe N5 O8
Calculated formula	C34 H21 Fe N5 O8
Title of publication	Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands
Authors of publication	Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	2
Pages of publication	792
a	19.282 ± 0.009 Å
b	8.542 ± 0.004 Å
c	27.116 ± 0.013 Å
α	90°
β	108.45 ± 0.01°
γ	90°
Cell volume	4237 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
179609 (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 4/50/73.	4507303.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507303.cif
73900	2013-02-21	cif/ Adding structures of 4507303 via cif-deposit CGI script.	4507303.cif