Crystallography Open Database

Information card for entry 7134596

Preview

Coordinates	7134596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 B5 N2 O5 Zn
Calculated formula	C17 H20 B5 N2 O5 Zn
Title of publication	A new carborane scaffold for assembling metal–organic frameworks
Authors of publication	Windsor, Hunter J.; Carraro, Thomas J. C.; Walwyn, Robert J.; Rendina, Louis M.; Kepert, Cameron J.
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	53
Pages of publication	9634 - 9637
a	18.7459 ± 0.0005 Å
b	13.308 ± 0.0005 Å
c	17.2328 ± 0.0005 Å
α	90°
β	92.512 ± 0.003°
γ	90°
Cell volume	4294.9 ± 0.2 Å³
Cell temperature	260.03 ± 0.1 K
Ambient diffraction temperature	260.03 ± 0.1 K
Number of distinct elements	6
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	0.0471
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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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