Crystallography Open Database

Information card for entry 4330649

Preview

Coordinates	4330649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H37 Cl7 N7 O6 P3 Zn
Calculated formula	C38.5 H37 Cl7 N7 O6 P3 Zn
Title of publication	Zinc, Cadmium, and Mercury Complexes of a Pyridyloxy-Substituted Cyclotriphosphazene: Syntheses, Structures, and Fluxional Behavior
Authors of publication	Eric W. Ainscough; Andrew M. Brodie; Patrick J. B. Edwards; Geoffrey B. Jameson; Carl A. Otter; Stephen Kirk
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10884 - 10892
a	14.6984 ± 0.001 Å
b	16.7607 ± 0.0011 Å
c	21.9219 ± 0.0015 Å
α	97.417 ± 0.004°
β	104.21 ± 0.004°
γ	111.41 ± 0.004°
Cell volume	4728.8 ± 0.6 Å³
Cell temperature	97 ± 2 K
Ambient diffraction temperature	97 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1366
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.2243
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4330649.html