Crystallography Open Database

Information card for entry 7238483

Preview

Coordinates	7238483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Cl Fe N2 P Pd
Calculated formula	C44 H36 Cl Fe N2 P Pd
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	10.625 ± 0.006 Å
b	12.789 ± 0.005 Å
c	14.469 ± 0.006 Å
α	93.58 ± 0.02°
β	105.39 ± 0.02°
γ	107.09 ± 0.02°
Cell volume	1790.7 ± 1.5 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.1978
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244189 (current)	2019-11-28	cif/ Adding structures of 7238479, 7238480, 7238481, 7238482, 7238483 via cif-deposit CGI script.	7238483.cif