Crystallography Open Database

Information card for entry 4087951

Preview

Coordinates	4087951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 Fe N3
Calculated formula	C23 H29 Fe N3
SMILES	[Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1ccc(cc1)N=C(NC(C)C)NC(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity
Authors of publication	Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	22
Pages of publication	5407
a	37.239 ± 0.003 Å
b	37.239 ± 0.003 Å
c	8.0789 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	9702.4 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.2066
Weighted residual factors for all reflections included in the refinement	0.2317
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
237155 (current)	2019-11-24	cif/ Adding structures of 4087951, 4087952, 4087953, 4087954, 4087955 via cif-deposit CGI script.	4087951.cif