Crystallography Open Database

Information card for entry 4122714

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Coordinates	4122714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 Co2 N12 O14 Zn6
Calculated formula	C24 H12 Co2 N12 O14 Zn6
Title of publication	Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.
Authors of publication	Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	41
Pages of publication	14465
a	20.131 ± 0.0004 Å
b	20.131 ± 0.0004 Å
c	20.131 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8158.2 ± 0.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.1938
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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