Crystallography Open Database

Information card for entry 7005453

Preview

Coordinates	7005453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100.8 H115.6 Cl1.6 N6 O4 P2 Zn2
Calculated formula	C100.8 H115.6 Cl1.6 N6 O4 P2 Zn2
Title of publication	Rigid bis-zinc(II) salphen building blocks for the formation of template-assisted bidentate ligands and their application in catalysis.
Authors of publication	Kuil, Mark; Goudriaan, P. Elsbeth; Kleij, Arjan W.; Tooke, Duncan M.; Spek, Anthony L.; van Leeuwen, Piet W. N. M.; Reek, Joost N. H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	22
Pages of publication	2311 - 2320
a	16.799 ± 0.002 Å
b	18.411 ± 0.003 Å
c	20.4292 ± 0.0018 Å
α	110.621 ± 0.008°
β	107.51 ± 0.01°
γ	96.557 ± 0.012°
Cell volume	5465.4 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7005453.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005453.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005453.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005453.cif