Crystallography Open Database

Information card for entry 7111105

Preview

Coordinates	7111105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 Cl3 Fe N10 O6
Calculated formula	C69.934 H69.9338 Cl2.802 Fe N10 O6
Title of publication	The first unambiguous determination of a nitrosyl-to-nitrite conversion in an iron nitrosyl porphyrin
Authors of publication	Cheng, Lin; Khan, Masood A.; Richter-Addo, George B.; Powell, Douglas R.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	23
Pages of publication	2301
a	18.7122 ± 0.0008 Å
b	19.0244 ± 0.0008 Å
c	18.4955 ± 0.0008 Å
α	90°
β	91.543 ± 0.002°
γ	90°
Cell volume	6581.8 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0882
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1891
Weighted residual factors for all reflections included in the refinement	0.2098
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7111105.html