Crystallography Open Database

Information card for entry 7208879

7208878 << 7208879 >> 7208880

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Coordinates	7208879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H65 N11 Ni3 O16
Calculated formula	C41 H59 N11 Ni3 O16
Title of publication	Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity
Authors of publication	Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	1
Pages of publication	78
a	11.4505 ± 0.0008 Å
b	11.5123 ± 0.0008 Å
c	21.6191 ± 0.0014 Å
α	94.207 ± 0.001°
β	91.531 ± 0.001°
γ	113.612 ± 0.001°
Cell volume	2599.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.178
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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