Crystallography Open Database

Information card for entry 4313997

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Coordinates	4313997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 F8 Fe N4 O4
Calculated formula	C60 H44 F8 Fe N4 O4
Title of publication	Synthesis, Characterization, and Laser Flash Photolysis Reactivity of a Carbonmonoxy Heme Complex
Authors of publication	David W. Thompson; Ryan M. Kretzer; Estelle L. Lebeau; Donald V. Scaltrito; Reza A. Ghiladi; Kin-Chung Lam; Arnold L. Rheingold; Kenneth D. Karlin; Gerald J. Meyer
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	5211 - 5218
a	21.3216 ± 0.0003 Å
b	12.1191 ± 0.0002 Å
c	21.0125 ± 0.0002 Å
α	90°
β	105.366 ± 0.0005°
γ	90°
Cell volume	5235.51 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1938
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.581
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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