Crystallography Open Database

Information card for entry 7221697

Preview

Coordinates	7221697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H40 Co5 N8 O22 P2
Calculated formula	C46 H40 Co5 N8 O22 P2
Title of publication	Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers
Authors of publication	Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	46
Pages of publication	8926
a	9.196 ± 0.006 Å
b	10.084 ± 0.006 Å
c	15.198 ± 0.009 Å
α	73.07 ± 0.012°
β	88.636 ± 0.012°
γ	89.664 ± 0.012°
Cell volume	1347.9 ± 1.4 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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