Crystallography Open Database

Information card for entry 4336706

Preview

Coordinates	4336706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H58 N6 O14 Zn4
Calculated formula	C67.554 H56.276 N6 O13.685 Zn4
Title of publication	Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.
Authors of publication	Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13004 - 13013
a	16.321 ± 0.0017 Å
b	15.815 ± 0.002 Å
c	25.08 ± 0.003 Å
α	90°
β	92.57 ± 0.01°
γ	90°
Cell volume	6467.1 ± 1.3 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for all reflections	0.1566
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections	1.062
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179470 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/67.	4336706.cif
102723	2014-02-22	cif/ Adding structures of 4336706 via cif-deposit CGI script.	4336706.cif