Crystallography Open Database

Information card for entry 4110288

Preview

Coordinates	4110288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78.39 H56 I6 N16 O10 Zn3
Calculated formula	C78.379 H56 I6 N16 O10 Zn3
Title of publication	The Modular Synthesis of Functional Porous Coordination Networks
Authors of publication	Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	15418 - 15419
a	27.596 ± 0.006 Å
b	13.69 ± 0.003 Å
c	45.419 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	17159 ± 6 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.689 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178873 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/02.	4110288.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110288.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110288.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110288.cif