Crystallography Open Database

Information card for entry 4335183

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Coordinates	4335183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H39 Br4 Fe2 N7 P2
Calculated formula	C38 H39 Br4 Fe2 N7 P2
Title of publication	Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior
Authors of publication	Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7000 - 7009
a	19.8229 ± 0.0002 Å
b	22.6568 ± 0.0003 Å
c	18.5048 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8310.94 ± 0.16 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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