Crystallography Open Database

Information card for entry 4064890

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Coordinates	4064890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Fe2 N2 P2
Calculated formula	C44 H56 Fe2 N2 P2
Title of publication	Phosphaferrocene Analogues of Calixpyrroles
Authors of publication	Tian, Rongqiang; Mathey, François
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	13
Pages of publication	3472
a	9.3305 ± 0.0004 Å
b	14.5318 ± 0.0006 Å
c	14.1202 ± 0.0008 Å
α	90°
β	102.134 ± 0.001°
γ	90°
Cell volume	1871.77 ± 0.15 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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