Crystallography Open Database

Information card for entry 7037142

Preview

Coordinates	7037142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H74 Mg2 N2 O6
Calculated formula	C74 H74 Mg2 N2 O6
SMILES	[C@@]1(C(=[N]2c3c(cccc3C(C)C)C(C)C)c3c4c1cccc4ccc3)([O]1[Mg]23(OC(=CC(=[O]3)C)C)[O]([C@]2(C(=[N]3c4c(cccc4C(C)C)C(C)C)c4c5c2cccc5ccc4)C(=C)c2ccccc2)[Mg]321OC(=CC(=[O]2)C)C)C(=C)c1ccccc1
Title of publication	Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).
Authors of publication	Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20532 - 20541
a	11.2637 ± 0.0007 Å
b	18.6717 ± 0.0011 Å
c	15.0467 ± 0.0009 Å
α	90°
β	92.64 ± 0.001°
γ	90°
Cell volume	3161.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171245 (current)	2015-12-09	cif/ Updating files of 7037137, 7037138, 7037139, 7037140, 7037141, 7037142 Original log message: Adding full bibliography for 7037137--7037142.cif.	7037142.cif
170236	2015-11-12	cif/ Adding structures of 7037137, 7037138, 7037139, 7037140, 7037141, 7037142 via cif-deposit CGI script.	7037142.cif