Crystallography Open Database

Information card for entry 1556494

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Coordinates	1556494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H64 Mg N2 P2
Calculated formula	C53 H64 Mg N2 P2
SMILES	P1(=[N]([Mg](CCCC)N(P(=C1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
Title of publication	Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide
Authors of publication	Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.
Journal of publication	Inorganics
Year of publication	2017
Journal volume	5
Pages of publication	29
a	18.7343 ± 0.0017 Å
b	11.6636 ± 0.0008 Å
c	23.279 ± 0.0018 Å
α	90°
β	106.937 ± 0.002°
γ	90°
Cell volume	4866 ± 0.7 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.0504
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244986 (current)	2019-12-11	cif/ Adding structures of 1556494 via cif-deposit CGI script.	1556494.cif