Crystallography Open Database

Information card for entry 4315051

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Coordinates	4315051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79.05 H82.05 Co N12 O4
Calculated formula	C79.05 H82.05 Co N12 O4
Title of publication	Oxygenation of Cobalt Porphyrinates: Coordination or Oxidation?
Authors of publication	Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Guillermo Ferraudi; A. Graham Lappin; W. Robert Scheidt
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2398 - 2406
a	13.68 ± 0.0005 Å
b	21.1364 ± 0.0007 Å
c	26.2946 ± 0.0009 Å
α	95.239 ± 0.002°
β	101.426 ± 0.002°
γ	102.866 ± 0.001°
Cell volume	7191.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2282
Weighted residual factors for all reflections included in the refinement	0.2597
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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