Crystallography Open Database

Information card for entry 7001733

Preview

Coordinates	7001733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C324.5 H278 B8 Cu4 F32 N50.5 O8 S8
Calculated formula	C324.5 H278 B8 Cu4 F32 N50.5 O8 S8
Title of publication	Structural features directing the specificity and functionality of metallo-supramolecular grid-type architectures
Authors of publication	Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Drillon, Marc; Lehn, Jean-Marie
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	29
Pages of publication	5787
a	24.3653 ± 0.001 Å
b	26.5163 ± 0.001 Å
c	28.1575 ± 0.001 Å
α	65.201 ± 0.005°
β	75.39 ± 0.005°
γ	77.363 ± 0.005°
Cell volume	15847.7 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2929
Residual factor for significantly intense reflections	0.1675
Weighted residual factors for significantly intense reflections	0.3631
Weighted residual factors for all reflections included in the refinement	0.4368
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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