Crystallography Open Database

Information card for entry 7230858

Preview

Coordinates	7230858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H69 Cl15 Co2 N20 O18 S4
Calculated formula	C99 H69 Cl15 Co2 N20 O18 S4
Title of publication	Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications
Authors of publication	Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	27
Pages of publication	3891
a	16.409 ± 0.0008 Å
b	27.965 ± 0.002 Å
c	12.6898 ± 0.0008 Å
α	90°
β	106.692 ± 0.006°
γ	90°
Cell volume	5577.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1693
Residual factor for significantly intense reflections	0.1352
Weighted residual factors for significantly intense reflections	0.2592
Weighted residual factors for all reflections included in the refinement	0.2735
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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