Crystallography Open Database

Information card for entry 7108208

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Coordinates	7108208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H74 Cl2 Fe P6
Calculated formula	C75 H66 Cl2 Fe P6
Title of publication	Investigation of formally zerovalent Triphos iron complexes
Authors of publication	Tufan K. Mukhopadhyay; Russell K. Feller; Francisca N. Rein; Neil J. Henson; Nathan C. Smythe; Ryan J. Trovitch; John C. Gordon
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	8670
a	10.3077 ± 0.0007 Å
b	10.9001 ± 0.0008 Å
c	15.4955 ± 0.0011 Å
α	71.483 ± 0.001°
β	84.083 ± 0.001°
γ	77.596 ± 0.001°
Cell volume	1611.2 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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