Crystallography Open Database

Information card for entry 7035339

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Coordinates	7035339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H62 Cu2 N10 O2
Calculated formula	C97 H62 Cu2 N10 O2
Title of publication	Discrimination between alkyl and aryl substituents of chiral monoamines by m-phthalic diamide-linked zinc bisporphyrinates.
Authors of publication	Fang, Xianshi; Han, Zhen; Xu, Chenglong; Li, Xiaohong; Wang, Yong; Hu, Chuanjiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	28
Pages of publication	12511 - 12515
a	17.8413 ± 0.0002 Å
b	17.8413 ± 0.0002 Å
c	27.0941 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8624.4 ± 0.2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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