Crystallography Open Database

Information card for entry 7041026

Preview

Coordinates	7041026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H75 Ce Cl6 Co2 N2 O18 P6 S2
Calculated formula	C39 H75 Ce Cl6 Co2 N2 O18 P6 S2
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	24.4099 ± 0.0003 Å
b	19.09733 ± 0.00018 Å
c	13.83242 ± 0.00015 Å
α	90°
β	90°
γ	90°
Cell volume	6448.18 ± 0.12 Å³
Cell temperature	99.9 ± 0.5 K
Ambient diffraction temperature	99.9 ± 0.5 K
Number of distinct elements	9
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	7041026.cif
187540	2016-10-25	cif/ Adding structures of 7041024, 7041025, 7041026, 7041027 via cif-deposit CGI script.	7041026.cif