Crystallography Open Database

Information card for entry 1556497

Preview

Coordinates	1556497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H144 Mg2 N4 P4
Calculated formula	C110 H120 Mg2 N4 P4
SMILES	C12=P(c3ccccc3)(c3ccccc3)N(c3c(cccc3C(C)C)C(C)C)[Mg]2[N](=P(C2=P(c3ccccc3)(c3ccccc3)N(c3c(cccc3C(C)C)C(C)C)[Mg]2[N](=P1(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)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	19.08 ± 0.004 Å
b	34.382 ± 0.007 Å
c	16.79 ± 0.003 Å
α	90°
β	90.56 ± 0.03°
γ	90°
Cell volume	11014 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
244989 (current)	2019-12-11	cif/ Adding structures of 1556497 via cif-deposit CGI script.	1556497.cif