Crystallography Open Database

Information card for entry 7054010

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Coordinates	7054010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.5 H49.5 Cl4.5 Co N12 O8
Calculated formula	C46 H48 Co N12 O8
Title of publication	Self-assembly of cobalt(ii) and zinc(ii) tetranitrooctaethylporphyrin via bidentate axial ligands: synthesis, structure, surface morphology and effect of axial coordination
Authors of publication	Dey, Soumyajit; Ikbal, Sk Asif; Rath, Sankar Prasad
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	4
Pages of publication	1458
a	12.274 ± 0.005 Å
b	13.707 ± 0.005 Å
c	18.913 ± 0.005 Å
α	107.964 ± 0.005°
β	104.161 ± 0.005°
γ	98.063 ± 0.005°
Cell volume	2853.4 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1188
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2135
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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