Crystallography Open Database

Information card for entry 7012018

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Coordinates	7012018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H127 N13 Nd3 O40.5 P8
Calculated formula	C132 H127 N12.99 Nd3 O40.47 P8
Title of publication	Synthesis and coordination chemistry of arene soluble 4-alkyl-2,6-bis[(diphenylphosphino)methyl]pyridine N,P,P'-trioxide ligands
Authors of publication	Xin-Min Gan; Robert T. Paine; Eileen N. Duesler; Heinrich Nöth
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	1
Pages of publication	153 - 159
a	17.83 ± 0.007 Å
b	17.959 ± 0.006 Å
c	25.691 ± 0.008 Å
α	79.42 ± 0.02°
β	76.79 ± 0.03°
γ	71.69 ± 0.03°
Cell volume	7547 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1126
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.2388
Weighted residual factors for all reflections included in the refinement	0.2579
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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