Crystallography Open Database

Information card for entry 7235995

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Coordinates	7235995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H32 Cl18 Mn N4
Calculated formula	C54 H32 Cl18 Mn N4
Title of publication	Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks
Authors of publication	Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	102
Pages of publication	84134
a	23.717 ± 0.004 Å
b	29.432 ± 0.005 Å
c	34.422 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	24028 ± 7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	A c a a :2
Hall space group symbol	-A 2ab 2b
Residual factor for all reflections	0.162
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.2384
Weighted residual factors for all reflections included in the refinement	0.2856
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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