Crystallography Open Database

Information card for entry 7037140

Preview

Coordinates	7037140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H102 Mg2 N2 O6
Calculated formula	C96 H102 Mg2 N2 O6
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	10.5447 ± 0.0012 Å
b	12.8512 ± 0.0015 Å
c	15.2786 ± 0.0017 Å
α	98.9945 ± 0.0019°
β	94.5901 ± 0.0018°
γ	109.527 ± 0.0017°
Cell volume	1907.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7037140.cif
170236	2015-11-12	cif/ Adding structures of 7037137, 7037138, 7037139, 7037140, 7037141, 7037142 via cif-deposit CGI script.	7037140.cif