Crystallography Open Database

Information card for entry 7047261

Preview

Coordinates	7047261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H47 Al Ca F36 N2 O4
Calculated formula	C51 H47 Al Ca F36 N2 O4
Title of publication	Coordination of arenes and phosphines by charge separated alkaline earth cations.
Authors of publication	Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	36
Pages of publication	12684 - 12693
a	20.9248 ± 0.001 Å
b	24.8726 ± 0.001 Å
c	12.2476 ± 0.0006 Å
α	90°
β	103.767 ± 0.005°
γ	90°
Cell volume	6191.2 ± 0.5 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2013
Weighted residual factors for all reflections included in the refinement	0.2255
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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

Version history

Revision	Date	Message	Files
229912 (current)	2019-11-17	cif/ Updating files of 7047260, 7047261, 7047262, 7047263, 7047264, 7047265, 7047266 Original log message: Adding full bibliography for 7047260--7047266.cif.	7047261.cif
209751	2018-08-16	cif/ Adding structures of 7047260, 7047261, 7047262, 7047263, 7047264, 7047265, 7047266 via cif-deposit CGI script.	7047261.cif