Crystallography Open Database

Information card for entry 7005881

Preview

Coordinates	7005881.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6,Zn3OH35
Formula	C79 H118 Cl3 N9 O21 Zn3
Calculated formula	C70 H100 Cl3.01 N9 O18.01 Zn3
Title of publication	Synthesis and reactivity of a C3-symmetric trinuclear zinc(II) hydroxide catalyst efficient at phosphate diester transesterification.
Authors of publication	Mitra, Ranjan; Peters, Matthew W.; Scott, Michael J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	35
Pages of publication	3924 - 3935
a	16.7532 ± 0.0016 Å
b	16.7532 ± 0.0016 Å
c	23.629 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	5743.4 ± 1.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1436
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.2357
Weighted residual factors for all reflections included in the refinement	0.2616
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
179762 (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 7/00/58.	7005881.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005881.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005881.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005881.cif