Crystallography Open Database

Information card for entry 7041027

Preview

Coordinates	7041027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H147 Ce4 Co4 N18 O39 P12
Calculated formula	C71 H7 Ce4 Co4 N18 O39 P12
Title of publication	Tetravalent cerium pseudohalide complexes supported by the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3]().
Authors of publication	Au-Yeung, Ka-Chun; So, Yat-Ming; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	45
Pages of publication	18163 - 18170
a	23.9797 ± 0.0003 Å
b	20.7737 ± 0.0002 Å
c	24.0697 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	11990.3 ± 0.2 Å³
Cell temperature	99.9 ± 0.5 K
Ambient diffraction temperature	99.9 ± 0.5 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
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
190162 (current)	2017-01-09	cif/ Updating files of 7041024, 7041025, 7041026, 7041027 Original log message: Adding full bibliography for 7041024--7041027.cif.	7041027.cif
187540	2016-10-25	cif/ Adding structures of 7041024, 7041025, 7041026, 7041027 via cif-deposit CGI script.	7041027.cif