Crystallography Open Database

Information card for entry 4509351

Preview

Coordinates	4509351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H32 N6 Ni O8 Zn2
Calculated formula	C58 H32 N6 Ni O8 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	16.6544 ± 0.0004 Å
b	16.6544 ± 0.0004 Å
c	14.0525 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3897.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179629 (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 4/50/93.	4509351.cif
97234	2014-01-29	cif/ Adding structures of 4509351 via cif-deposit CGI script.	4509351.cif