Crystallography Open Database

Information card for entry 4519074

4519073 << 4519074 >> 4519075

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Coordinates	4519074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 F6 Fe N8 Sb
Calculated formula	C44 H56 F6 Fe N8 Sb
Title of publication	Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands
Authors of publication	Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong
Journal of publication	ACS Omega
Year of publication	2021
Journal volume	6
Journal issue	38
Pages of publication	24777 - 24787
a	9.9783 ± 0.0012 Å
b	10.928 ± 0.0013 Å
c	11.3674 ± 0.0014 Å
α	75.369 ± 0.0018°
β	88.574 ± 0.0019°
γ	66.4191 ± 0.0018°
Cell volume	1095.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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