Crystallography Open Database

Information card for entry 7710098

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Coordinates	7710098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H53 N2 P5 W
Calculated formula	C39 H53 N2 P5 W
SMILES	[W]1234([N]#N)[P](CC(C)(C[P]1(C)C)C[P]2(CCC[P]3(c1ccccc1)c1ccccc1)CCC[P]4(c1ccccc1)c1ccccc1)(C)C
Title of publication	Tungsten and molybdenum dinitrogen complexes supported by a pentadentate tetrapodal phosphine ligand: comparative spectroscopic, electrochemical and reactivity studies.
Authors of publication	Junge, Jannik; Froitzheim, Sven; Engesser, Tobias A.; Krahmer, Jan; Näther, Christian; Le Poul, Nicolas; Tuczek, Felix
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	16
Pages of publication	6166 - 6176
a	19.2033 ± 0.0008 Å
b	9.4433 ± 0.0003 Å
c	21.9208 ± 0.001 Å
α	90°
β	107.168 ± 0.003°
γ	90°
Cell volume	3798.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274614 (current)	2022-04-21	cif/ Adding structures of 7710098 via cif-deposit CGI script.	7710098.cif