Crystallography Open Database

Information card for entry 7019611

7019610 << 7019611 >> 7019612

Preview

Coordinates	7019611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 Fe O2
Calculated formula	C31 H26 Fe O2
Title of publication	Ferrocenyl catechols: synthesis, oxidation chemistry and anti-proliferative effects on MDA-MB-231 breast cancer cells.
Authors of publication	Tan, Yong Leng Kelvin; Pigeon, Pascal; Top, Siden; Labbé, Eric; Buriez, Olivier; Hillard, Elizabeth A.; Vessières, Anne; Amatore, Christian; Leong, Weng Kee; Jaouen, Gérard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	25
Pages of publication	7537 - 7549
a	9.4498 ± 0.0002 Å
b	11.5084 ± 0.0002 Å
c	12.0193 ± 0.0002 Å
α	71.024 ± 0.001°
β	81.435 ± 0.001°
γ	66.158 ± 0.001°
Cell volume	1130.37 ± 0.04 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.041
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179900 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/96.	7019611.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019611.cif
62920	2012-07-09	cif/ Adding structures of 7019609, 7019610, 7019611, 7019612 via cif-deposit CGI script.	7019611.cif