Crystallography Open Database

Information card for entry 7705317

Preview

Coordinates	7705317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H72 Cu K N5 O9 P2
Calculated formula	C53 H72 Cu K N5 O9 P2
Title of publication	A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.
Authors of publication	Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	39
Pages of publication	13549 - 13556
a	24.8978 ± 0.0005 Å
b	13.9828 ± 0.0003 Å
c	33.8978 ± 0.0007 Å
α	90°
β	110.867 ± 0.001°
γ	90°
Cell volume	11027.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258830 (current)	2020-11-06	cif/ Updating files of 7705312, 7705313, 7705314, 7705315, 7705316, 7705317 Original log message: Adding full bibliography for 7705312--7705317.cif.	7705317.cif
255730	2020-08-29	cif/ Adding structures of 7705312, 7705313, 7705314, 7705315, 7705316, 7705317 via cif-deposit CGI script.	7705317.cif