Crystallography Open Database

Information card for entry 7231206

Preview

Coordinates	7231206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 Co N O5.5
Calculated formula	C27 H19 Co N O5.5
Title of publication	An expanded MIL-53-type coordination polymer with a reactive pendant ligand
Authors of publication	Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	31
Pages of publication	4355
a	25.1697 ± 0.0004 Å
b	7.1655 ± 0.0001 Å
c	16.6823 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3008.71 ± 0.07 Å³
Cell temperature	296 ± 1 K
Ambient diffraction temperature	296 ± 1 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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