Crystallography Open Database

Information card for entry 7208880

7208879 << 7208880 >> 7208881

Preview

Coordinates	7208880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H65 N11 Ni2 O16 Zn
Calculated formula	C41 H63 N11 Ni2 O16 Zn
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	11.4882 ± 0.0008 Å
b	11.5521 ± 0.0008 Å
c	21.6308 ± 0.0016 Å
α	94.361 ± 0.001°
β	91.317 ± 0.001°
γ	113.584 ± 0.001°
Cell volume	2618.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0781
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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