Crystallography Open Database

Information card for entry 4112864

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Coordinates	4112864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H122 Cl8 Fe2 N8 O6
Calculated formula	C105 H122 Cl8 Fe2 N8 O6
Title of publication	Targeted Proton Delivery in the Catalyzed Reduction of Oxygen to Water by Bimetallic Pacman Porphyrins
Authors of publication	Christopher J. Chang; Zhi-Heng Loh; Chunnian Shi; Fred C. Anson; Daniel G. Nocera
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	10013 - 10020
a	15.1206 ± 0.0006 Å
b	16.0783 ± 0.0007 Å
c	24.5229 ± 0.0011 Å
α	72.5 ± 0.001°
β	79.253 ± 0.001°
γ	66.396 ± 0.001°
Cell volume	5195.3 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.1311
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2496
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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