Crystallography Open Database

Information card for entry 7125911

Preview

Coordinates	7125911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72.34 H107.54 Br0.14 Mg2 O12
Calculated formula	C72.335 H107.537 Br0.133 Mg2 O12
Title of publication	Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.
Authors of publication	Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	9
Pages of publication	1381 - 1384
a	11.959 ± 0.008 Å
b	13.536 ± 0.009 Å
c	22.775 ± 0.013 Å
α	75.943 ± 0.017°
β	88.27 ± 0.02°
γ	73.195 ± 0.016°
Cell volume	3420 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 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	0.0815
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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