Crystallography Open Database

Information card for entry 7023689

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Coordinates	7023689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H48 Br Cl Fe N8 O7
Calculated formula	C34.99 H47.97 Br Cl Fe N7.995 O7
Title of publication	Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.
Authors of publication	Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14826 - 14835
a	10.73 ± 0.005 Å
b	40.995 ± 0.005 Å
c	11.101 ± 0.005 Å
α	90°
β	117.05 ± 0.005°
γ	90°
Cell volume	4349 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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