Crystallography Open Database

Information card for entry 7707796

Preview

Coordinates	7707796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H68 Cl4 Co5 N10 O22 V2
Calculated formula	C62 H68 Cl4 Co5 N10 O22 V2
Title of publication	[(V<sup>IV</sup>O)<sub>2</sub>MII5] (M = Ni, Co) Anderson wheels.
Authors of publication	Fraser, Hector W. L.; Payne, Emily H.; Sarkar, Arup; Wilson, Lucinda R. B.; Mitcov, Dmitri; Nichol, Gary S.; Rajaraman, Gopalan; Piligkos, Stergios; Brechin, Euan K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	36
Pages of publication	12495 - 12501
a	15.7439 ± 0.0009 Å
b	12.4867 ± 0.0005 Å
c	18.9773 ± 0.0012 Å
α	90°
β	106.591 ± 0.006°
γ	90°
Cell volume	3575.4 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1475
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269718 (current)	2021-10-06	cif/ Updating files of 7707796, 7707797 Original log message: Adding full bibliography for 7707796--7707797.cif.	7707796.cif
266929	2021-07-03	cif/ Adding structures of 7707796, 7707797 via cif-deposit CGI script.	7707796.cif