Crystallography Open Database

Information card for entry 4326783

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Structure parameters

Common name	1
Formula	C34 H44 Cl4 N5 P3
Calculated formula	C34 H44 Cl4 N5 P3
SMILES	ClP1(Cl)=NP(=NP(Cl)(Cl)=N1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
Title of publication	Interaction of Carbene and Olefin Donors with [Cl2PN]3: Exploration of a Reductive Pathway toward (PN)3
Authors of publication	S. M. Ibrahim Al-Rafia; Michael J. Ferguson; Eric Rivard
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10543 - 10545
a	9.9329 ± 0.0003 Å
b	12.3748 ± 0.0004 Å
c	16.5363 ± 0.0005 Å
α	86.1689 ± 0.0003°
β	76.2264 ± 0.0003°
γ	80.9368 ± 0.0003°
Cell volume	1948.6 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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