Crystallography Open Database

Information card for entry 7225880

Preview

Coordinates	7225880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H58 B Ce3 N2 O77 W12
Calculated formula	C14 H58 B Ce3 N2 O77 W12
Title of publication	Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies
Authors of publication	Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	35
Pages of publication	6724
a	16.9847 ± 0.0011 Å
b	24.2343 ± 0.0016 Å
c	36.286 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	14935.8 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
186350 (current)	2016-09-10	cif/ Updating files of 7225877, 7225878, 7225879, 7225880, 7225881, 7225882 Original log message: Adding full bibliography for 7225877--7225882.cif.	7225880.cif
184376	2016-07-12	cif/ Adding structures of 7225877, 7225878, 7225879, 7225880, 7225881, 7225882 via cif-deposit CGI script.	7225880.cif