Crystallography Open Database

Information card for entry 7052389

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Structure parameters

Formula	C37 H32 N2 P2
Calculated formula	C37 H32 N2 P2
SMILES	P(=Nc1ccccc1)(CP(=Nc1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives
Authors of publication	Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	12
Pages of publication	1745
a	14.22 ± 0.001 Å
b	10.278 ± 0.001 Å
c	20.462 ± 0.001 Å
α	90°
β	93.927 ± 0.001°
γ	90°
Cell volume	2983.6 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0492
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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