Crystallography Open Database

Information card for entry 4348101

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Coordinates	4348101.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	zinc(II)porphine
Formula	C20 H12 N4 Zn
Calculated formula	C20 H12 N4 Zn
Title of publication	Metalloporphines: Dimers and Trimers.
Authors of publication	Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	12
Pages of publication	6294 - 6299
a	10.0359 ± 0.001 Å
b	12.5467 ± 0.0008 Å
c	14.8377 ± 0.0007 Å
α	99.853 ± 0.009°
β	93.007 ± 0.004°
γ	97.742 ± 0.005°
Cell volume	1818.5 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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