Crystallography Open Database

Information card for entry 1556480

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Coordinates	1556480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 Mg P4
Calculated formula	C64 H54 Mg P4
SMILES	[Mg]1234([P](Cc5c3c(ccc5)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](Cc1c4c(ccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium
Authors of publication	Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.
Journal of publication	Inorganics
Year of publication	2016
Journal volume	4
Pages of publication	39
a	12.4695 ± 0.0002 Å
b	20.0948 ± 0.0003 Å
c	20.8722 ± 0.0003 Å
α	90°
β	90.828 ± 0.001°
γ	90°
Cell volume	5229.45 ± 0.14 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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	0.0718
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
244962 (current)	2019-12-09	cif/ Adding structures of 1556479, 1556480, 1556481, 1556482 via cif-deposit CGI script.	1556480.cif