Crystallography Open Database

Information card for entry 4317445

Preview

Coordinates	4317445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30.5 N4 O12.75 P2 Pr
Calculated formula	C32 H30.5 N4 O12.75 P2 Pr
Title of publication	Synthesis and Coordination Properties of 1-(Diphenylphosphine oxide)-1-(2'-pyridyl N-oxide)-3-(diphenylphosphine oxide)propane
Authors of publication	Robert T. Paine; Evelyn M. Bond; S. Parveen; Nathan Donhart; Eileen N. Duesler; Karen Ann Smith; Heinrich Nöth
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	444 - 448
a	20.9907 ± 0.0018 Å
b	16.3968 ± 0.0013 Å
c	21.7003 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	7468.8 ± 1.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4317445.html