Crystallography Open Database

Information card for entry 8105823

Preview

Coordinates	8105823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 Cd3 O24
Calculated formula	C54 H42 Cd3 O24
Title of publication	Crystal structure of poly[di-μ2-aqua)-diaqua-bis(μ6-4,4′,4′′-(benzene-1,3,5-triyltris(oxy))tribenzoato-κ6O1:O2:O3:O3:O5:O6)tricadmium(II)] dihydrate, C54H42Cd3O24
Authors of publication	Zhang, Peng; Su, Yan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	693 - 695
a	7.9122 ± 0.0005 Å
b	9.0693 ± 0.0006 Å
c	18.6637 ± 0.0011 Å
α	95.174 ± 0.005°
β	100.765 ± 0.006°
γ	107.158 ± 0.006°
Cell volume	1242 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8105823.html