Crystallography Open Database

Information card for entry 7217393

Preview

Coordinates	7217393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H12 Co9 Li3 N36 O54
Calculated formula	C48 H12 Co9 Li3 N36 O54
Title of publication	Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net
Authors of publication	Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	7133
a	17.5405 ± 0.0009 Å
b	17.5405 ± 0.0009 Å
c	76.087 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	20273.3 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1806
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7216232
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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