Crystallography Open Database

Information card for entry 7004829

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Coordinates	7004829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 N6 Ni O18 Zn2
Calculated formula	C60 H66 N6 Ni O18 Zn2
Title of publication	Two-dimensional metal-organic frameworks (MOFs) constructed from heterotrinuclear coordination units and 4,4'-biphenyldicarboxylate ligands.
Authors of publication	Wang, Yonghui; Bredenkötter, Björn; Rieger, Bernhard; Volkmer, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	6
Pages of publication	689 - 696
a	11.67 ± 0.002 Å
b	14.742 ± 0.003 Å
c	19.391 ± 0.004 Å
α	90°
β	102.29 ± 0.03°
γ	90°
Cell volume	3259.6 ± 1.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2247
Weighted residual factors for all reflections included in the refinement	0.2515
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
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
179752 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/48.	7004829.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004829.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004829.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004829.cif