Crystallography Open Database

Information card for entry 4509750

Preview

Coordinates	4509750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Cd Fe2 N4 O7
Calculated formula	C53 H48 Cd Fe2 N4 O7
Title of publication	Polymeric Frameworks Constructed from Bulky Carboxylates and 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and Properties
Authors of publication	Liu, Lin; Li, Zifeng; Wang, Baolan; Li, Gang; Wang, Lipeng; Meng, Xiangru; He, Zhanhang
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5244
a	11.752 ± 0.006 Å
b	13.457 ± 0.007 Å
c	17.688 ± 0.013 Å
α	108.218 ± 0.008°
β	103.065 ± 0.008°
γ	102.821 ± 0.006°
Cell volume	2455 ± 3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1236
Residual factor for significantly intense reflections	0.1096
Weighted residual factors for significantly intense reflections	0.3154
Weighted residual factors for all reflections included in the refinement	0.3228
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
179633 (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 4/50/97.	4509750.cif
97471	2014-01-29	cif/ Adding structures of 4509750 via cif-deposit CGI script.	4509750.cif