Crystallography Open Database

Information card for entry 7205654

7205653 << 7205654 >> 7205655

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Coordinates	7205654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 Mg O7
Calculated formula	C8 H16 Mg O7
Title of publication	Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium
Authors of publication	Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	3146
a	17.0609 ± 0.001 Å
b	8.1048 ± 0.001 Å
c	9.1311 ± 0.001 Å
α	90°
β	101.23 ± 0.01°
γ	90°
Cell volume	1238.4 ± 0.2 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1648
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for all reflections	0.0855
Weighted residual factors for significantly intense reflections	0.0351
Weighted residual factors for all reflections included in the refinement	0.0351
Goodness-of-fit parameter for all reflections included in the refinement	1.1799
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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