Crystallography Open Database

Information card for entry 7711920

7711919 << 7711920 >> 7711921

Preview

Coordinates	7711920.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZrMOP-ben-lantern
Formula	C102 H98 Cl2 N2 O22.5 Zr6
Calculated formula	C102 H98 Cl2 N2 O22.5 Zr6
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	23.8868 ± 0.0003 Å
b	14.9932 ± 0.0002 Å
c	33.5014 ± 0.0003 Å
α	90°
β	103.661 ± 0.001°
γ	90°
Cell volume	11658.7 ± 0.2 Å³
Cell temperature	101 ± 1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1992
Weighted residual factors for all reflections included in the refinement	0.2098
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7711920.cif
279880	2022-12-14	cif/ Adding structures of 7711919, 7711920, 7711921, 7711922, 7711923 via cif-deposit CGI script.	7711920.cif