Crystallography Open Database

Information card for entry 2201370

2201369 << 2201370 >> 2201371

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Structure parameters

Formula	C45.5 H55 Cl2 N6 O8 Zn2
Calculated formula	C45.5 H55 Cl2 N6 O8 Zn2
Title of publication	Ring contraction in a dinuclear zinc(II) complex of a Robson macrocycle
Authors of publication	Wanida Wongratchasee; Suchada Chantrapromma; Hoong-Kun Fun; Anwar Usman; Chatchanok Karalai; Chanita Ponglimanont; Kan Chantrapromma
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	7
Pages of publication	m344 - m346
a	26.0725 ± 0.0004 Å
b	9.5836 ± 0.0001 Å
c	19.7483 ± 0.0001 Å
α	90°
β	103.658 ± 0.001°
γ	90°
Cell volume	4794.94 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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