Crystallography Open Database

Information card for entry 4308423

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Coordinates	4308423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Cl2 N4 O12 Zn
Calculated formula	C48 H44 Cl2 N4 O12 Zn
Title of publication	Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes
Authors of publication	Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	232 - 241
a	13.3272 ± 0.001 Å
b	11.3083 ± 0.0008 Å
c	15.0979 ± 0.0011 Å
α	90°
β	98.027 ± 0.001°
γ	90°
Cell volume	2253.1 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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