Crystallography Open Database

Information card for entry 4319455

4319454 << 4319455 >> 4319456

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Coordinates	4319455.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	00011a
Formula	C15 H30 Mg1.5 N3 O6
Calculated formula	C15 H30 Mg1.5 N3 O6
Title of publication	Assembly of the Inorganic Double Helix Mg6(Et2NCO2)12 by Fixation of Carbon Dioxide: Crystal and Solution Structure
Authors of publication	M. Tyler Caudle; Ronald A. Nieman; Victor G. Young
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1571 - 1575
a	21.548 ± 0.0015 Å
b	25.094 ± 0.002 Å
c	15.4485 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	8353.4 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for all reflections	0.0978
Weighted residual factors for significantly intense reflections	0.0878
Goodness-of-fit parameter for all reflections	1.045
Goodness-of-fit parameter for significantly intense reflections	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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