Crystallography Open Database

Information card for entry 4117103

Preview

Coordinates	4117103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H92 B2 F8 Fe2 N12 O7
Calculated formula	C92 H74 B2 F8 Fe2 N12 O7
Title of publication	cis-μ-1,2-Peroxo Diiron Complex: Structure and Reversible Oxygenation
Authors of publication	Takaharu Ookubo; Hideki Sugimoto; Toshihiko Nagayama; Hideki Masuda; Takahisa Sato; Koji Tanaka; Yonezo Maeda; Hisashi Ōkawa; Yoshihito Hayashi; Akira Uehara; Masatatsu Suzuki
Journal of publication	Journal of the American Chemical Society
Year of publication	1996
Journal volume	118
Pages of publication	701 - 702
a	14.332 ± 0.005 Å
b	14.655 ± 0.007 Å
c	22.263 ± 0.009 Å
α	108.69 ± 0.05°
β	91.7 ± 0.05°
γ	92.18 ± 0.03°
Cell volume	4422 ± 3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.109
Goodness-of-fit parameter for significantly intense reflections	2.2
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4117103.html