Crystallography Open Database

Information card for entry 7047764

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Structure parameters

Formula	C48 H52 Be6 Cl4 O14
Calculated formula	C48 H52 Be6 Cl4 O14
Title of publication	The coordination behaviour and reactivity of partially silicon based crown ethers towards beryllium chloride.
Authors of publication	Buchner, Magnus R.; Müller, Matthias; Dankert, Fabian; Reuter, Kirsten; von Hänisch, Carsten
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	46
Pages of publication	16393 - 16397
a	9.8872 ± 0.0005 Å
b	12.0013 ± 0.0006 Å
c	12.2122 ± 0.0006 Å
α	108.235 ± 0.002°
β	103.883 ± 0.002°
γ	106.623 ± 0.002°
Cell volume	1229.35 ± 0.11 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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