Crystallography Open Database

Information card for entry 4505982

Preview

Coordinates	4505982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Cd2 N6 O9
Calculated formula	C26 H22 Cd2 N6 O9
Title of publication	Two Unique Entangling CdII-Coordination Frameworks Constructed by Square Cd4-Building Blocks and Auxiliary N,N′-Donor Ligands
Authors of publication	Li, Dong-Sheng; Zhang, Peng; Zhao, Jun; Fang, Zi-Fan; Du, Miao; Zou, Kun; Mu, Yi-Qiang
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	1697
a	9.7939 ± 0.0007 Å
b	21.688 ± 0.0017 Å
c	27.677 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5878.9 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0502
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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/4505982.html