Crystallography Open Database

Information card for entry 7703824

Preview

Coordinates	7703824.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	delta-[FeI{(S,S)-Me-DuPhos}2](ClO4)
Formula	C36 H56 Cl Fe I O4 P4
Calculated formula	C36 H56 Cl Fe I O4 P4
Title of publication	Configurational landscape of chiral iron(ii) bis(phosphane) complexes.
Authors of publication	Estevan, Francisco; Feliz, Marta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	14
Pages of publication	4528 - 4538
a	11.23747 ± 0.00014 Å
b	20.9195 ± 0.0003 Å
c	33.7258 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7928.34 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
251638 (current)	2020-05-05	cif/ Updating files of 7703821, 7703822, 7703823, 7703824 Original log message: Adding full bibliography for 7703821--7703824.cif.	7703824.cif
249600	2020-03-21	cif/ Adding structures of 7703821, 7703822, 7703823, 7703824 via cif-deposit CGI script.	7703824.cif