Crystallography Open Database

Information card for entry 4340790

Preview

Coordinates	4340790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Cl Co N4
Calculated formula	C60 H56 Cl Co N4
Title of publication	Dual-Channel-Mediated Spin Coupling for One-Electron-Oxidized Cobalt(II)-Saddled Porphyrin.
Authors of publication	Cheng, Ru-Jen; Chen, Yu-Hsuan; Chen, Ching-Chin; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Peter Ping-Yu
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	8848 - 8850
a	16.3446 ± 0.0009 Å
b	20.2988 ± 0.0009 Å
c	14.9598 ± 0.0006 Å
α	90°
β	98.044 ± 0.004°
γ	90°
Cell volume	4914.5 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1827
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1919
Weighted residual factors for all reflections included in the refinement	0.2518
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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/4340790.html