Crystallography Open Database

Information card for entry 7207408

7207407 << 7207408 >> 7207409

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Coordinates	7207408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H168 Cl6 N18 Ni3 O27
Calculated formula	C174 H114 Cl6 N18 Ni3 O30
Title of publication	Bucky-blocks: templating a coordination network with C60
Authors of publication	Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	5
Pages of publication	1770
a	25.712 ± 0.004 Å
b	25.712 ± 0.004 Å
c	36.372 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	20824 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.1143
Weighted residual factors for significantly intense reflections	0.3369
Weighted residual factors for all reflections included in the refinement	0.3381
Goodness-of-fit parameter for all reflections included in the refinement	1.262
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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