Crystallography Open Database

Information card for entry 1556498

Preview

Coordinates	1556498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H140 Mg2 N4 O4 P4
Calculated formula	C98 H108 Mg2 N4 P4
SMILES	P1(=[N]([Mg]23[N](=P(C24P(=[N]([Mg]42[N](=P(C132)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(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	13.51 ± 0.003 Å
b	14.4 ± 0.003 Å
c	29.43 ± 0.006 Å
α	100.84 ± 0.03°
β	100.81 ± 0.03°
γ	100.62 ± 0.03°
Cell volume	5379 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1198
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.228
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244990 (current)	2019-12-11	cif/ Adding structures of 1556498 via cif-deposit CGI script.	1556498.cif