Crystallography Open Database

Information card for entry 7111493

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Coordinates	7111493.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2,2'-bis(2-(1-oxy-2-phenanthrenyl)-1-azaethenyl)(1,1'- binaphthyl)zinc(ii)
Chemical name	2,2'-bis(2-(1-oxy-2-phenanthrenyl)-1-azaethenyl)(1,1'-binaphthyl)zinc(II)
Formula	C52 H36.75 Cl0.5 N2 O3.75 Zn
Calculated formula	C52 H36.75 Cl0.5 N2 O3.75 Zn
Title of publication	Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes
Authors of publication	Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.
Journal of publication	Chemical Communications
Year of publication	2005
Journal issue	37
Pages of publication	4693 - 4695
a	12.3373 ± 0.0004 Å
b	13.341 ± 0.0005 Å
c	23.6254 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3888.5 ± 0.2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	7111493.cif
96543	2014-01-29	cif/ Adding structures of 7111492, 7111493, 7111494 via cif-deposit CGI script.	7111493.cif