Crystallography Open Database

Information card for entry 4509349

Preview

Coordinates	4509349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H40 Mn N9 O11 Zn2
Calculated formula	C68 H40 Mn 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	16.6609 ± 0.0011 Å
b	16.6609 ± 0.0011 Å
c	25.688 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7130.6 ± 0.9 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	0.0926
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.2219
Weighted residual factors for all reflections included in the refinement	0.2368
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4509349.cif
97232	2014-01-29	cif/ Adding structures of 4509349 via cif-deposit CGI script.	4509349.cif