Crystallography Open Database

Information card for entry 7217394

Preview

Coordinates	7217394.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	17.6972 ± 0.0011 Å
b	17.6972 ± 0.0011 Å
c	76.397 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	20721 ± 2 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	0.1139
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	0.903
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7216233
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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