Crystallography Open Database

Information card for entry 7702007

7702006 << 7702007 >> 7702008

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Coordinates	7702007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H49.5 Cl4 N14.5 O16 Zn2
Calculated formula	C56 H49.5 Cl4 N14.5 O16 Zn2
Title of publication	Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.
Authors of publication	Bodman, Samantha E.; Fitchett, Christopher M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	33
Pages of publication	12606 - 12613
a	24.6982 ± 0.0003 Å
b	22.0178 ± 0.0002 Å
c	21.7705 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11838.8 ± 0.3 Å³
Cell temperature	120.02 ± 0.1 K
Ambient diffraction temperature	120.02 ± 0.1 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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