Crystallography Open Database

Information card for entry 7059731

Preview

Coordinates	7059731.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PPh4)4[(MoO2)4(9HL)4].4MeOH.3H2O
Formula	C152 H122 Mo4 O35 P4
Calculated formula	C148 H100 Mo4 O28 P4
Title of publication	A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles
Authors of publication	Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	27
Pages of publication	11437 - 11440
a	30.16 ± 0.004 Å
b	30.16 ± 0.004 Å
c	14.716 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	13386 ± 4 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1022
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257678 (current)	2020-10-06	cif/ Updating files of 7059731, 7059732, 7059733, 7059734 Original log message: Adding full bibliography for 7059731--7059734.cif.	7059731.cif
255057	2020-08-06	cif/ Updating files of 7059731, 7059732, 7059733, 7059734 Original log message: Adding full bibliography for 7059731--7059734.cif.	7059731.cif
253548	2020-06-30	cif/ Adding structures of 7059731, 7059732, 7059733, 7059734 via cif-deposit CGI script.	7059731.cif