Crystallography Open Database

Information card for entry 7238479

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Coordinates	7238479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Fe N2
Calculated formula	C26 H22 Fe N2
Title of publication	Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?
Authors of publication	López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	5
Pages of publication	1986
a	10.345 ± 0.007 Å
b	10.589 ± 0.006 Å
c	11.221 ± 0.004 Å
α	67.47 ± 0.04°
β	67.79 ± 0.04°
γ	82.84 ± 0.05°
Cell volume	1050.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1841
Weighted residual factors for all reflections included in the refinement	0.1949
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	No
Has F_obs	No

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