Crystallography Open Database

Information card for entry 7048822

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Coordinates	7048822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H39 P3
Calculated formula	C42 H39 P3
Title of publication	Molybdenum dinitrogen complex supported by a cyclohexane-based triphosphine ligand and dmpm.
Authors of publication	Weyrich, Thomas; Krahmer, Jan; Engesser, Tobias A.; Näther, Christian; Tuczek, Felix
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	18
Pages of publication	6019 - 6025
a	10.7012 ± 0.0002 Å
b	23.6772 ± 0.0006 Å
c	13.8942 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3520.44 ± 0.15 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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