Crystallography Open Database

Information card for entry 2003377

2003376 << 2003377 >> 2003378

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Coordinates	2003377.cif
Original IUCr paper	HTML

Structure parameters

Formula	C28 H28 N4 O8 Zn2
Calculated formula	C28 H28 N4 O8 Zn2
SMILES	C1(/C=C/C)=[O][Zn]34([n]5ccc(cc5)C#N)OC(/C=C/C)=[O][Zn]([n]2ccc(C#N)cc2)(O1)([O]=C(/C=C/C)O3)OC(/C=C/C)=[O]4
Title of publication	Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines
Authors of publication	Clegg, W.; Hunt, P. A.; Straughan, B. P.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	4
Pages of publication	613 - 617
a	12.0761 ± 0.0006 Å
b	12.2729 ± 0.0006 Å
c	21.0414 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3118.5 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for all reflections	0.084
Weighted residual factors for significantly intense reflections	0.074
Goodness-of-fit parameter for all reflections	1.062
Goodness-of-fit parameter for significantly intense reflections	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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