Crystallography Open Database

Information card for entry 4026439

Preview

Coordinates	4026439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 Br2 N10 O12 Zn2
Calculated formula	C46 H46 Br2 N10 O12 Zn2
Title of publication	A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds
Authors of publication	Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	5404 - 5412
a	8.7282 ± 0.0006 Å
b	20.3213 ± 0.0015 Å
c	14.6464 ± 0.0011 Å
α	90°
β	107.049 ± 0.002°
γ	90°
Cell volume	2483.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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