Crystallography Open Database

Information card for entry 1556496

Preview

Coordinates	1556496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H57 Al N2 P2
Calculated formula	C49 H57 Al N2 P2
SMILES	P1(=[N]([AlH2]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	13.149 ± 0.003 Å
b	18.972 ± 0.004 Å
c	17.427 ± 0.004 Å
α	90°
β	99.58 ± 0.03°
γ	90°
Cell volume	4286.8 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0408
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244988 (current)	2019-12-11	cif/ Adding structures of 1556496 via cif-deposit CGI script.	1556496.cif