Crystallography Open Database

Information card for entry 7711919

7711918 << 7711919 >> 7711920

Preview

Coordinates	7711919.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZrMOP-ben-tetrahedron
Formula	C192 H155 Cl4 O41 Zr12
Calculated formula	C192 H155 Cl4 O41 Zr12
Title of publication	Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes.
Authors of publication	Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	2
Pages of publication	338 - 346
a	38.4705 ± 0.0002 Å
b	42.4265 ± 0.0001 Å
c	31.9924 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	52217 ± 0.3 Å³
Cell temperature	103 ± 1 K
Ambient diffraction temperature	103 ± 1 K
Number of distinct elements	5
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	0.0934
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283284 (current)	2023-05-05	cif/ Updating files of 7711919, 7711920, 7711921, 7711922, 7711923 Original log message: Adding full bibliography for 7711919--7711923.cif.	7711919.cif
279880	2022-12-14	cif/ Adding structures of 7711919, 7711920, 7711921, 7711922, 7711923 via cif-deposit CGI script.	7711919.cif