Crystallography Open Database

Information card for entry 4509350

Preview

Coordinates	4509350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H40 Fe N9 O11 Zn2
Calculated formula	C68 H40 Fe N9.04 O11.12 Zn2
Title of publication	Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins
Authors of publication	Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1960
a	16.6334 ± 0.0002 Å
b	16.6334 ± 0.0002 Å
c	25.0762 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6937.83 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4509350.cif
97233	2014-01-29	cif/ Adding structures of 4509350 via cif-deposit CGI script.	4509350.cif