Crystallography Open Database

Information card for entry 1512610

Preview

Coordinates	1512610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H29 N5
Calculated formula	C16 H29 N5
SMILES	N1(CCCNCCNCCCNCC1)Cc1cnccc1
Title of publication	Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate
Authors of publication	Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	268 - 276
a	9.0432 ± 0.0015 Å
b	10.8298 ± 0.0019 Å
c	17.173 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1681.9 ± 0.5 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	3
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	0.0683
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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