Crystallography Open Database

Information card for entry 7231527

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Coordinates	7231527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H45 Co4 N12 O18
Calculated formula	C69 H45 Co4 N12 O18
Title of publication	Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching
Authors of publication	Behera, Jogendra Nath; Tiwari, Ranjay K.
Journal of publication	CrystEngComm
Year of publication	2018
a	37.298 ± 0.006 Å
b	13.1819 ± 0.0019 Å
c	19.249 ± 0.005 Å
α	90°
β	113.855 ± 0.014°
γ	90°
Cell volume	8655 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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