Crystallography Open Database

Information card for entry 7248334

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Coordinates	7248334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H72 N12 Zn2
Calculated formula	C86 H72 N12 Zn2
Title of publication	Synthesis, structure, and properties of helical bis-Zn(ii) complexes of hexapyrrolic ligands
Authors of publication	Chauhan, Pinky; Pushpanandan, Poornenth; Ravikanth, Mangalampalli
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	17
Pages of publication	2259 - 2268
a	12.3533 ± 0.0004 Å
b	27.6883 ± 0.0008 Å
c	21.444 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7334.7 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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